(1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carb oxylic acid | CAS No. 1365970-48-4

(1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carb oxylic acid

Basic Information

CAS Number

1365970-48-4

Molecular Formula

C29H34F2N4O7

Molecular Weight

588.61 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (4.7E-3 g/L) (25 ºC),

CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OCC=CC(F)(F)C2=NC3C=CC=CC=3N=C2O[C@@H]2C[C@@H](C(O)=O)N(C2)C1=O |t:17|

InChI

InChI=1S/C29H34F2N4O7/c1-28(2,3)23-25(36)35-15-16(14-19(35)26(37)38)41-24-22(32-17-8-4-5-9-18(17)33-24)29(30,31)12-7-13-40-20-10-6-11-21(20)42-27(39)34-23/h4-5,7-9,12,16,19-21,23H,6,10-11,13-15H2,1-3H3,(H,34,39)(H,37,38)/b12-7+/t16-,19+,20-,21-,23-/m1/s1

InChIKey

GAWSCEHDGCHIPM-CARGABRYSA-N

LogP

3.802900000000002

Topological Polar Surface Area

140.18 Ų

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

1050

Synonyms & References

English

  • Glecaprevir N-1 intermediate
  • (1R,14Z,18R,22R,26S,29S)-26-Tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazap
  • (33R,35S,91R,92R,5S)-5-(tert-butyl)-14,14-difluoro-4,7-dioxo-2,8,10-trioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopentanacyclotetradecaphan-12-ene-35-carboxylic acid

FAQ

What is (1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxylic acid (CAS: 1365970-48-4)?

This compound is a complex organic molecule with a distinctive structure. It contains fluoro and methyl substituents, and features a unique cyclic and linear arrangement of carbon, oxygen, and nitrogen atoms. It is characterized by its high molecular weight and complex stereochemistry.

What are the main uses of (1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxylic acid (CAS: 1365970-48-4)?

This compound is primarily used in research and development for its unique chemical structure. It may serve as a starting material or intermediate in the synthesis of other compounds, particularly in the pharmaceutical and chemical industries.

Is (1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxylic acid (CAS: 1365970-48-4) safe?

This compound is considered safe under normal handling conditions if appropriate safety measures are taken. It is important to wear appropriate protective equipment and ensure proper ventilation. Storage in a cool, dry place away from direct sunlight is recommended.

How should (1R,14E,18R,22R,26S,29S)-13,13-Difluoro-26-(2-methyl-2-propanyl)-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10~.0~18,22~]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxylic acid (CAS: 1365970-48-4) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Appropriate safety measures and storage conditions should be adhered to at all times to ensure its stability and the safety of the handlers.

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