5|A-Pregnan-3|A,11|A,21-triol-20-one
TL;DR: 5|A-Pregnan-3|A,11|A,21-triol-20-one (CAS 600-63-5) 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.
1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone
Also Known As: Tetrahydrocorticosterone, Allotetrahydrocorticosterone, A-Pregnan-3, A,11, A,21-triol-20-one
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 600-63-5 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O |
| InChIKey | RHQQHZQUAMFINJ-UHFFFAOYSA-N |
Product Overview
5|A-Pregnan-3|A,11|A,21-triol-20-one (CAS 600-63-5), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone.
Chemical Property Profile of 5|A-Pregnan-3|A,11|A,21-triol-20-one
Property Insights of 5|A-Pregnan-3|A,11|A,21-triol-20-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5|A-Pregnan-3|A,11|A,21-triol-20-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5|A-Pregnan-3|A,11|A,21-triol-20-one. Following Lipinski's Rule of Five, 5|A-Pregnan-3|A,11|A,21-triol-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 5|A-Pregnan-3|A,11|A,21-triol-20-one?
The CAS number of 5|A-Pregnan-3|A,11|A,21-triol-20-one is 600-63-5.
What is the molecular formula of 5|A-Pregnan-3|A,11|A,21-triol-20-one?
The molecular formula of 5|A-Pregnan-3|A,11|A,21-triol-20-one is C21H34O4.
What is the molecular weight of 5|A-Pregnan-3|A,11|A,21-triol-20-one?
The molecular weight of 5|A-Pregnan-3|A,11|A,21-triol-20-one is 350.25 g/mol.
Where can I buy 5|A-Pregnan-3|A,11|A,21-triol-20-one?
You can request a quote for 5|A-Pregnan-3|A,11|A,21-triol-20-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-Pregnan-3|A,11|A,21-triol-20-one?
Yes, KEHONG BIO provides custom synthesis services for 5|A-Pregnan-3|A,11|A,21-triol-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.