Allopregnane-3beta,17alpha-diol-20-one 3-acetate
TL;DR: Allopregnane-3beta,17alpha-diol-20-one 3-acetate (CAS 6315-97-5) is a chemical compound with molecular formula C23H36O4 and molecular weight 376.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Allopregnane-3beta,17alpha-diol-20-one 3-acetate, Allopregnane-3beta,17alpha-diol-20-one 3-acetate [MI], Pregnan-20-one, (3.beta.,5.alpha.)-, 17-Hydroxy-20-oxopregnan-3-yl acetate #, Pregnan-20-one, 3-(acetyloxy)-17-hydroxy-, (3beta,5alpha)-
| Molecular Formula | C23H36O4 |
|---|---|
| Molecular Weight | 376.26 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.26135 |
| Heavy Atoms | 27 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 6315-97-5 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]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 |
| InChIKey | TVQDBRRFOFGWDS-LQHFQCQCSA-N |
Product Overview
Allopregnane-3beta,17alpha-diol-20-one 3-acetate (CAS 6315-97-5), with molecular formula C23H36O4 and molecular weight 376.26 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Allopregnane-3beta,17alpha-diol-20-one 3-acetate
Property Insights of Allopregnane-3beta,17alpha-diol-20-one 3-acetate
The XLogP value of 4.3 indicates that Allopregnane-3beta,17alpha-diol-20-one 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Allopregnane-3beta,17alpha-diol-20-one 3-acetate. Following Lipinski's Rule of Five, Allopregnane-3beta,17alpha-diol-20-one 3-acetate has 1 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 Allopregnane-3beta,17alpha-diol-20-one 3-acetate?
The CAS number of Allopregnane-3beta,17alpha-diol-20-one 3-acetate is 6315-97-5.
What is the molecular formula of Allopregnane-3beta,17alpha-diol-20-one 3-acetate?
The molecular formula of Allopregnane-3beta,17alpha-diol-20-one 3-acetate is C23H36O4.
What is the molecular weight of Allopregnane-3beta,17alpha-diol-20-one 3-acetate?
The molecular weight of Allopregnane-3beta,17alpha-diol-20-one 3-acetate is 376.26 g/mol.
Where can I buy Allopregnane-3beta,17alpha-diol-20-one 3-acetate?
You can request a quote for Allopregnane-3beta,17alpha-diol-20-one 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allopregnane-3beta,17alpha-diol-20-one 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Allopregnane-3beta,17alpha-diol-20-one 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.