3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)
TL;DR: 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) (CAS 3517-42-8) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,8R,9S,10R,13S,14S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A4233, A,17,21-Triacetoxy-pregn-5-en-20-on, 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate), (3, A)-17-hydroxy-20-oxopregn-5-ene-3,21-diyl diacetate
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 3517-42-8 |
|---|---|
| SMILES | CC(=O)OCC(=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 | OTNAVSJAMNLXPF-BSXCMTNWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) (CAS 3517-42-8), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: [2-[(3S,8R,9S,10R,13S,14S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)
Property Insights of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)
The XLogP value of 3.4 indicates that 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) 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 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate). Following Lipinski's Rule of Five, 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) 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 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)?
The CAS number of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) is 3517-42-8.
What is the molecular formula of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)?
The molecular formula of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) is C25H36O6.
What is the molecular weight of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)?
The molecular weight of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) is 432.25 g/mol.
Where can I buy 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)?
You can request a quote for 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-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,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 3beta,17,21-Trihydroxypregn-5-en-20-one 3,21-di(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.