3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one
TL;DR: 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one (CAS 7791-37-9) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1,2-dihydroxyethyl)-3-hydroxy-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: 17-Deoxycortolone, 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one, (3R,5R,8S,9S,10S,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one, 17-(1,2-dihydroxyethyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.5384 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 548.01416 |
Chemical Identifiers
| CAS Number | 7791-37-9 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(CO)O)C)O |
Product Overview
3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one (CAS 7791-37-9), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 17-(1,2-dihydroxyethyl)-3-hydroxy-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 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one
Property Insights of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one
The XLogP value of 2.5384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one. Following Lipinski's Rule of Five, 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-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 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one?
The CAS number of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one is 7791-37-9.
What is the molecular formula of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one?
The molecular formula of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one is C21H34O4.
What is the molecular weight of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one?
The molecular weight of 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one is 350.25 g/mol.
Where can I buy 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one?
You can request a quote for 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.