3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)
TL;DR: 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) (CAS 3517-33-7) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.26 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)-3,17-diacetyloxy-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-1A4231, A,17,21-Triacetoxy-pregn-5-en-20-on, A,17,21-triacetoxy-pregn-5-en-20-one, 20-oxopregn-5-ene-3,17,21-triyl triacetate, 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)
| Molecular Formula | C27H38O7 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.26175 |
| Heavy Atoms | 34 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 3517-33-7 |
|---|---|
| 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)OC(=O)C |
| InChIKey | RHVLWSXKCVDNIJ-YOEZIVMMSA-N |
Product Overview
3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) (CAS 3517-33-7), with molecular formula C27H38O7 and molecular weight 474.26 g/mol. IUPAC: [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-diacetyloxy-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 3,17,21-tri(acetate)
Property Insights of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)
The XLogP value of 4.0 indicates that 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate). Following Lipinski's Rule of Five, 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) has 0 hydrogen bond donor(s) and 7 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 3,17,21-tri(acetate)?
The CAS number of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) is 3517-33-7.
What is the molecular formula of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)?
The molecular formula of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) is C27H38O7.
What is the molecular weight of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)?
The molecular weight of 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) is 474.26 g/mol.
Where can I buy 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)?
You can request a quote for 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(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 3,17,21-tri(acetate)?
Yes, KEHONG BIO provides custom synthesis services for 3beta,17,21-Trihydroxypregn-5-en-20-one 3,17,21-tri(acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.