3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)
TL;DR: 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) (CAS 1176-21-2) is a chemical compound with molecular formula C25H36O5 and molecular weight 416.26 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-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A0828, 17alpha-hydroxypregnenolone diacetate, 6728AF, 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate), 17ALPHA-HYDROXYPREGNENOLONE-3,17-DIACETATE
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 1176-21-2 |
|---|---|
| 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)OC(=O)C |
| InChIKey | JLYQTAVPLWZAFP-JNFBOQJPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) (CAS 1176-21-2), with molecular formula C25H36O5 and molecular weight 416.26 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-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 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)
Property Insights of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)
The XLogP value of 4.1 indicates that 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate). Following Lipinski's Rule of Five, 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) has 0 hydrogen bond donor(s) and 5 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 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)?
The CAS number of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) is 1176-21-2.
What is the molecular formula of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)?
The molecular formula of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) is C25H36O5.
What is the molecular weight of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)?
The molecular weight of 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) is 416.26 g/mol.
Where can I buy 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)?
You can request a quote for 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.