14-Hydroxy-20-oxopregnane-3,21-diyl diacetate
TL;DR: 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate (CAS 67462-35-5) is a chemical compound with molecular formula C25H38O6 and molecular weight 434.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate, 5-beta,14-beta,17-alpha-Pregnane-3-beta,14,21-triol, 20-oxo-, 3,21-diacetate, 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3,21-diacetate, (14beta,17R)-3beta,14,21-Trihydroxy-5beta-pregnan-20-one 3,21-diacetate, 14-Hydroxy-20-oxo-3beta,5beta,14beta,17alpha-pregnane-3,21-diyl diacetate
| Molecular Formula | C25H38O6 |
|---|---|
| Molecular Weight | 434.27 g/mol |
| LogP | 3.8241 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.26685 |
| Heavy Atoms | 31 |
| Complexity | 763.1112 |
Chemical Identifiers
| CAS Number | 67462-35-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O |
Product Overview
14-Hydroxy-20-oxopregnane-3,21-diyl diacetate (CAS 67462-35-5), with molecular formula C25H38O6 and molecular weight 434.27 g/mol. IUPAC: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate
Property Insights of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate
The XLogP value of 3.8241 indicates that 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate. Following Lipinski's Rule of Five, 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate has 1 hydrogen bond donor(s) and 6 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 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate?
The CAS number of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate is 67462-35-5.
What is the molecular formula of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate?
The molecular formula of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate is C25H38O6.
What is the molecular weight of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate?
The molecular weight of 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate is 434.27 g/mol.
Where can I buy 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate?
You can request a quote for 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxy-20-oxopregnane-3,21-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.