1,3,5,6-Tetrahydroxyandrostan-17-one
TL;DR: 1,3,5,6-Tetrahydroxyandrostan-17-one (CAS 90134-60-4) is a chemical compound with molecular formula C19H30O5 and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,5R,6R,8R,9S,10S,13S,14S)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Also Known As: 1,3,5,6-Tetrahydroxyandrostan-17-one, 1,3,5,6-THAO, 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one, 1beta,3beta,5,6beta-Tetrahydroxy-5alpha-androstan-17-one, (1R,3S,5R,6R,8R,9S,10S,13S,14S)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C19H30O5 |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.20932 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 90134-60-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H]([C@@]4([C@@]3([C@@H](C[C@@H](C4)O)O)C)O)O |
| InChIKey | ONHQGXIEYFYVDF-MESRZZFMSA-N |
Product Overview
1,3,5,6-Tetrahydroxyandrostan-17-one (CAS 90134-60-4), with molecular formula C19H30O5 and molecular weight 338.21 g/mol. IUPAC: (1R,3S,5R,6R,8R,9S,10S,13S,14S)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 1,3,5,6-Tetrahydroxyandrostan-17-one
Property Insights of 1,3,5,6-Tetrahydroxyandrostan-17-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5,6-Tetrahydroxyandrostan-17-one. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5,6-Tetrahydroxyandrostan-17-one. Following Lipinski's Rule of Five, 1,3,5,6-Tetrahydroxyandrostan-17-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5,6-Tetrahydroxyandrostan-17-one?
The CAS number of 1,3,5,6-Tetrahydroxyandrostan-17-one is 90134-60-4.
What is the molecular formula of 1,3,5,6-Tetrahydroxyandrostan-17-one?
The molecular formula of 1,3,5,6-Tetrahydroxyandrostan-17-one is C19H30O5.
What is the molecular weight of 1,3,5,6-Tetrahydroxyandrostan-17-one?
The molecular weight of 1,3,5,6-Tetrahydroxyandrostan-17-one is 338.21 g/mol.
Where can I buy 1,3,5,6-Tetrahydroxyandrostan-17-one?
You can request a quote for 1,3,5,6-Tetrahydroxyandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5,6-Tetrahydroxyandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5,6-Tetrahydroxyandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.