(3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)

Basic Information

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CAS Number

1239015-11-2

Molecular Formula

C33H29N3O3

Molecular Weight

515.61 g/mol

Chemical Classification

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(CC1=N[C@H]2c3ccccc3C[C@H]2O1)(C4=N[C@H]5c6ccccc6C[C@H]5O4)C7=N[C@H]8c9ccccc9C[C@H]8O7

InChI

InChI=1S/C33H29N3O3/c1-33(31-35-29-22-12-6-3-9-19(22)15-25(29)38-31,32-36-30-23-13-7-4-10-20(23)16-26(30)39-32)17-27-34-28-21-11-5-2-8-18(21)14-24(28)37-27/h2-13,24-26,28-30H,14-17H2,1H3/t24-,25-,26-,28+,29+,30+/m1/s1

InChIKey

YLOSTUMAQZEZMP-LILTZDJXSA-N

LogP

5.666900000000005

Topological Polar Surface Area

64.77000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

1050

Synonyms & References

English

(3aS,3a'S,3a"S,8aR,8a'R,8a"R)-2,2',2"-(Propane-1,2,2-triyl)tris(8,8a-dihydro-3aH-indeno[1,2-d]oxazole) , (S,R)-In-TOX
(3aS,3a'S,3a
(3aS,3a'S,3a'S,8aR,8a'R,8a'R)-2,2',2'-(Propane-1,2,2-triyl)tris(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
(S,R)-In-TOX
(3Ar,8bS)-2-[1,2-bis[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
(3aS,3a'S,3a'S,8aR,8a'R,8a'R)-2,2',2'-(Propane-1,2,2-triyl)tris(8,8a-dihydro-3aH-indeno[1,2-d]oxazole) (S,R)-In-TOX
(3As,3a'S,3a'S,8aR,8a'R,8a'R)-2,2',2'-(Propane-1,2,2-triyl)tris(8,8a-dihydro-3aH-

MDL Number

MFCD27978385

FAQ

What is (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 1239015-11-2)?

The compound (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) is a tris-heterocyclic compound with a unique structure featuring three oxazole rings linked by 1,2,2-propanetriyl bridges. It is primarily used in pharmaceuticals and chemical research due to its specific molecular properties.

What are the main uses of (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 1239015-11-2)?

The main uses of this compound include applications in pharmaceuticals for developing new drug candidates, as well as in chemical research for synthesizing and studying novel heterocyclic structures. It may also have applications in industrial chemistry for specific reagent or catalyst purposes.

Is (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 1239015-11-2) safe?

The safety of (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) depends on its intended use. It is generally safe when handled with appropriate personal protective equipment and under controlled laboratory conditions. However, it should be used with caution due to its potentially reactive nature.

How should (3aS,8aR,3a'S,8a'R,3a''S,8a''R)-2,2',2''-(1,2,2-Propanetriyl)tris(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole) (CAS: 1239015-11-2) 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. Proper storage conditions include maintaining a temperature below 25°C and ensuring the environment is free from moisture and other reactive materials to avoid unwanted chemical reactions.