N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine

Basic Information

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CAS Number

201532-42-5

Molecular Formula

C22H19NO4S

Molecular Weight

393.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

169 °C

Boiling Point

623.4°Cat760mmHg

Flash Point

330.8°C

Solubility

Insuluble (1.8E-3 g/L) (25 ºC),

Refractive Index

1.5060 (estimate)

SMILES

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C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1

InChIKey

PXBMQFMUHRNKTG-HXUWFJFHSA-N

LogP

4.282500000000004

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

549

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Fmoc-D-Ala(2-Thienyl)-OH
Fmoc-D-2-Thienylalanine (Fmoc-D-2Thi-OH)
Fmoc-D-3-(2-Thienyl)-L-alanine
Fmoc--(2-thienyl)-D-Ala-OH
AC-9989
Fmoc-D-2-thienylalanine, AldrichCPR
Fmoc- sigma -(2-thienyl)-D-alanine
fmoc-beta-(2-thienyl)-d-alanine
Fmoc-D-Thi-OH
(r)-2-(((9h-fluoren-9-yl)methoxy)carbonylamino)-3-(thiophen-2-yl)propanoic acid
AKOS025117408
Fmoc-3-(2-thienyl)-D-alanine
J-013063
MFCD00065677
SCHEMBL119405
A814293
CS-0101045
Fmoc-D-2-Thienylalanine
201532-42-5
2-Thiophenepropanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaR)-
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-2-yl)propanoic acid
A50224
N-Fmoc-3-(2-thienyl)-D-alanine
DS-8260
Fmoc-D-thienylalanine
Fmoc-3-(2-Thienyl)-D-alanine
Fmoc-b-(2-thienyl)-D-Ala-OH
Fmoc-D-3-(2-Thienyl)-alanine
Fmoc-β-(2-thienyl)-D-alanine
Fmoc-β-(2-thienyl)-D-Ala-OH
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-yl-propanoate

MDL Number

MFCD00065677

Customs Code

29309090

FAQ

What is N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS: 201532-42-5)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine is a chemical compound with the CAS number 201532-42-5. It is a derivative of D-alanine with specific substituents, which makes it useful in pharmaceutical and medicinal chemistry applications. The compound has a molecular structure that includes a fluorene moiety, a thienyl group, and a D-alanine core, imparting unique properties suitable for various research and development purposes.

What are the main uses of N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS: 201532-42-5)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS 201532-42-5) is primarily used in the pharmaceutical industry for the development of new drugs and as a research tool. It is valued for its potential to act as a scaffold for drug discovery and as a ligand or inhibitor in various biological assays. Its use in medicinal chemistry and synthetic biology is also noteworthy.

Is N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS: 201532-42-5) safe?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS 201532-42-5) is generally considered safe under normal handling conditions. However, like many chemicals, it should be used with caution. Proper protective equipment such as gloves and goggles should be worn. It is important to avoid inhalation and contact with skin and eyes. Adequate ventilation should be ensured during use, and appropriate disposal methods should be followed to minimize environmental impact.

How should N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS: 201532-42-5) be stored?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine (CAS 201532-42-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent degradation. Humidity levels should be maintained to avoid moisture absorption, which could affect its stability. The storage temperature should be between 0°C and 25°C. Proper labeling of the container is essential to ensure its safe handling and identification.