3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate
TL;DR: 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate (CAS 1863-39-4) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: SKF 2814, 17-Hydroxypregnenolone 3-acetate, 6671AF, 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate, 17ALPHA-HYDROXYPREGNENOLONE3-ACETATE
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 1863-39-4 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O |
| InChIKey | IQCNQJXIOWBNAT-KIYFCUGLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate (CAS 1863-39-4), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate
Property Insights of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate
The XLogP value of 3.5 indicates that 3-beta,17-alpha-Dihydroxypregn-5-en-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 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate. Following Lipinski's Rule of Five, 3-beta,17-alpha-Dihydroxypregn-5-en-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 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate?
The CAS number of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate is 1863-39-4.
What is the molecular formula of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate?
The molecular formula of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate is C23H34O4.
What is the molecular weight of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate?
The molecular weight of 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate is 374.25 g/mol.
Where can I buy 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate?
You can request a quote for 3-beta,17-alpha-Dihydroxypregn-5-en-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 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,17-alpha-Dihydroxypregn-5-en-20-one 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.