5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate
TL;DR: 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate (CAS 6820-57-1) is a chemical compound with molecular formula C25H38O7 and molecular weight 450.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 3b-Tetrahydrocortisol 3,21-Diacetate, A-Pregnan-3, A,11, A,17,21-tetrol-20-one 3,21-diacetate, [2-(3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
| Molecular Formula | C25H38O7 |
|---|---|
| Molecular Weight | 450.26 g/mol |
| LogP | 2.7949 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.26175 |
| Heavy Atoms | 32 |
| Complexity | 795.1599 |
Chemical Identifiers
| CAS Number | 6820-57-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4C3(CCC(C4)OC(=O)C)C)O)C)O |
Product Overview
5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate (CAS 6820-57-1), with molecular formula C25H38O7 and molecular weight 450.26 g/mol. IUPAC: [2-(3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate
Property Insights of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate
The XLogP value of 2.7949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate. Following Lipinski's Rule of Five, 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate has 2 hydrogen bond donor(s) and 7 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,17,21-tetrol-20-one 3,21-diacetate?
The CAS number of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate is 6820-57-1.
What is the molecular formula of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate?
The molecular formula of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate is C25H38O7.
What is the molecular weight of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate?
The molecular weight of 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate is 450.26 g/mol.
Where can I buy 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate?
You can request a quote for 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate 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,17,21-tetrol-20-one 3,21-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5|A-Pregnan-3|A,11|A,17,21-tetrol-20-one 3,21-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.