(3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one
TL;DR: (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one (CAS 516-42-7) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,17R)-17-(1,2-dihydroxyethyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: Cortolon, Cortolone, (3alpha)-3,17,20,21-tetrahydroxypregnan-11-one, (3R,17R)-17-(1,2-dihydroxyethyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 516-42-7 |
|---|---|
| SMILES | CC12CC[C@H](CC1CCC3C2C(=O)CC4(C3CC[C@@]4(C(CO)O)O)C)O |
| InChIKey | JXCOSKURGJMQSG-BIGUCYEBSA-N |
Product Overview
(3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one (CAS 516-42-7), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: (3R,17R)-17-(1,2-dihydroxyethyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one
Property Insights of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one. Following Lipinski's Rule of Five, (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-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 (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one?
The CAS number of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one is 516-42-7.
What is the molecular formula of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one?
The molecular formula of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one is C21H34O5.
What is the molecular weight of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one?
The molecular weight of (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one is 366.24 g/mol.
Where can I buy (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one?
You can request a quote for (3alpha)-3,17,20,21-Tetrahydroxypregnan-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)-3,17,20,21-Tetrahydroxypregnan-11-one?
Yes, KEHONG BIO provides custom synthesis services for (3alpha)-3,17,20,21-Tetrahydroxypregnan-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.