3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate
TL;DR: 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate (CAS 1474-10-8) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 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-dihydroxy-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-1A1556, 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate, 3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate, (3, A)-3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 1474-10-8 |
|---|---|
| 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)O)C)C)O |
| InChIKey | PIGIYBRGSJKHQI-ZGIWMXSJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate (CAS 1474-10-8), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: [2-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-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 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate
Property Insights of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate
The XLogP value of 3.0 indicates that 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate. Following Lipinski's Rule of Five, 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate has 2 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 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate?
The CAS number of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate is 1474-10-8.
What is the molecular formula of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate?
The molecular formula of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate is C23H34O5.
What is the molecular weight of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate?
The molecular weight of 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate is 390.24 g/mol.
Where can I buy 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate?
You can request a quote for 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-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,21-Trihydroxypregn-5-en-20-one 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,17-alpha,21-Trihydroxypregn-5-en-20-one 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.