CAS 64190-52-9

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 64190-52-9, (1r,3ar,4s,7ar)-1-[(1s)-2-hydroxy-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol, (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol, (1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol, 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol, Schembl2678324

Molecular Formula

C₁₃H₂₄O₂

Molecular Weight

212.33 g/mol

InChI Key

FUBPRYXDIHQLGH-NAWOPXAZSA-N

1 2D Structure

CAS 64190-52-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,3aR,4S,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

2.1.2 InChI

InChI=1S/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10-,11+,12+,13-/m1/s1

2.1.3 InChI Key

FUBPRYXDIHQLGH-NAWOPXAZSA-N

2.1.4 Canonical SMILES

CC(CO)C1CCC2C1(CCCC2O)C

2.1.5 Isomeric SMILES

C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 64190-52-9

2. (1r,3ar,4s,7ar)-1-[(1s)-2-hydroxy-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

3. (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

4. (1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol

5. 1-(2-hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol

6. Schembl2678324

7. Chembl2063144

8. Fubpryxdihqlgh-nawopxazsa-n

9. Bcp10025

10. Cs-m0511

11. Mfcd00144484

12. Akos017343723

13. Ac-8893

14. Hy-75920

15. (1r,3ar,4s,7ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1h-inden-4-ol

16. (1r,3ar,4s,7ar)-octahydro-1-{(s)-1-hydroxypropane-2-yl}-7a-methyl-1h-indene-4-ol

17. 1r,3ar,4s,7ar)-1-((s)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1h-inden-4-ol

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₄O₂
Molecular Weight	212.33 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	40.5
Heavy Atom Count	15
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

64190-52-9

End Use API

Vitamin D

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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