(20S)-17,20,21-Trihydroxypregn-4-en-3-one
TL;DR: (20S)-17,20,21-Trihydroxypregn-4-en-3-one (CAS 3946-10-9) 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.
(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: (20S)-17,20,21-Trihydroxypregn-4-en-3-one, 17,20,21-THP, 4-Pregnen-17alpha,20alpha,21-triol-3-one, 17,20beta,21-Trihydroxypregna-4-ene-3-one, 17,20beta,21beta-Trihydroxy-4-pregnen-3-one
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 3946-10-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C |
| InChIKey | XNFSGLNHLVHCFT-MQWPULPWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(20S)-17,20,21-Trihydroxypregn-4-en-3-one (CAS 3946-10-9), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (20S)-17,20,21-Trihydroxypregn-4-en-3-one
Property Insights of (20S)-17,20,21-Trihydroxypregn-4-en-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (20S)-17,20,21-Trihydroxypregn-4-en-3-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (20S)-17,20,21-Trihydroxypregn-4-en-3-one. Following Lipinski's Rule of Five, (20S)-17,20,21-Trihydroxypregn-4-en-3-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 (20S)-17,20,21-Trihydroxypregn-4-en-3-one?
The CAS number of (20S)-17,20,21-Trihydroxypregn-4-en-3-one is 3946-10-9.
What is the molecular formula of (20S)-17,20,21-Trihydroxypregn-4-en-3-one?
The molecular formula of (20S)-17,20,21-Trihydroxypregn-4-en-3-one is C21H32O4.
What is the molecular weight of (20S)-17,20,21-Trihydroxypregn-4-en-3-one?
The molecular weight of (20S)-17,20,21-Trihydroxypregn-4-en-3-one is 348.23 g/mol.
Where can I buy (20S)-17,20,21-Trihydroxypregn-4-en-3-one?
You can request a quote for (20S)-17,20,21-Trihydroxypregn-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20S)-17,20,21-Trihydroxypregn-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (20S)-17,20,21-Trihydroxypregn-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.