5|A-Androstan-3|A,17|A-diol-11-one
TL;DR: 5|A-Androstan-3|A,17|A-diol-11-one (CAS 1158-94-7) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: A-Androstan-3, A,17, A-diol-11-one, 3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one, 5-BETA-ANDROSTAN-3-ALPHA, 17-BETA-DIOL-11-ONE;5-B-ANDROSTANE-3-A-17-B-DIOL-11-ONE;5B-Androstane-3ALPHA,17B-diol-11-one;5beta-androstane-3alpha,17beta-diol-11-one;3
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 1158-94-7 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4O)C)O |
| InChIKey | CEMLAYQDMWFPDU-UHFFFAOYSA-N |
Product Overview
5|A-Androstan-3|A,17|A-diol-11-one (CAS 1158-94-7), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: 3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 5|A-Androstan-3|A,17|A-diol-11-one
Property Insights of 5|A-Androstan-3|A,17|A-diol-11-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5|A-Androstan-3|A,17|A-diol-11-one. With a topological polar surface area (TPSA) of 57.5 Ų, 5|A-Androstan-3|A,17|A-diol-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5|A-Androstan-3|A,17|A-diol-11-one has 2 hydrogen bond donor(s) and 3 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 5|A-Androstan-3|A,17|A-diol-11-one?
The CAS number of 5|A-Androstan-3|A,17|A-diol-11-one is 1158-94-7.
What is the molecular formula of 5|A-Androstan-3|A,17|A-diol-11-one?
The molecular formula of 5|A-Androstan-3|A,17|A-diol-11-one is C19H30O3.
What is the molecular weight of 5|A-Androstan-3|A,17|A-diol-11-one?
The molecular weight of 5|A-Androstan-3|A,17|A-diol-11-one is 306.22 g/mol.
Where can I buy 5|A-Androstan-3|A,17|A-diol-11-one?
You can request a quote for 5|A-Androstan-3|A,17|A-diol-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5|A-Androstan-3|A,17|A-diol-11-one?
Yes, KEHONG BIO provides custom synthesis services for 5|A-Androstan-3|A,17|A-diol-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.