3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one
TL;DR: 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one (CAS 83269-10-7) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3,11,15-Thpo, 3beta,11alpha,15beta-Trihydroxy-5-pregnen-20-one, 3,11,15-trihydroxypregn-5-en-20-one, A,11, A,15
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 83269-10-7 |
|---|---|
| SMILES | CC(=O)[C@H]1C[C@H]([C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O |
| InChIKey | KGUIRCJFUORGCN-DWHPWSNTSA-N |
Product Overview
3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one (CAS 83269-10-7), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 1-[(3S,8S,9S,10R,11R,13S,14S,15R,17S)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one
Property Insights of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one. Following Lipinski's Rule of Five, 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one has 3 hydrogen bond donor(s) and 4 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 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one?
The CAS number of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one is 83269-10-7.
What is the molecular formula of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one?
The molecular formula of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one is C21H32O4.
What is the molecular weight of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one?
The molecular weight of 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one is 348.23 g/mol.
Where can I buy 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one?
You can request a quote for 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3 Beta,11 alpha,15 beta-trihydroxy-5-pregnen-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.