(3beta)-3-Hydroxypregn-5-ene-11,20-dione
TL;DR: (3beta)-3-Hydroxypregn-5-ene-11,20-dione (CAS 72986-60-8) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
Also Known As: KST-1A7911, (3, A)-3-hydroxypregn-5-ene-11,20-dione, 3beta-Hydroxypregn-5-ene-11,20-dione, (3beta)-3-Hydroxypregn-5-ene-11,20-dione
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 72986-60-8 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | UIGQYEDQWMJFEZ-ZVIOFETBSA-N |
Product Overview
(3beta)-3-Hydroxypregn-5-ene-11,20-dione (CAS 72986-60-8), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of (3beta)-3-Hydroxypregn-5-ene-11,20-dione
Property Insights of (3beta)-3-Hydroxypregn-5-ene-11,20-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3beta)-3-Hydroxypregn-5-ene-11,20-dione. With a topological polar surface area (TPSA) of 54.4 Ų, (3beta)-3-Hydroxypregn-5-ene-11,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta)-3-Hydroxypregn-5-ene-11,20-dione has 1 hydrogen bond donor(s) and 3 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)-3-Hydroxypregn-5-ene-11,20-dione?
The CAS number of (3beta)-3-Hydroxypregn-5-ene-11,20-dione is 72986-60-8.
What is the molecular formula of (3beta)-3-Hydroxypregn-5-ene-11,20-dione?
The molecular formula of (3beta)-3-Hydroxypregn-5-ene-11,20-dione is C21H30O3.
What is the molecular weight of (3beta)-3-Hydroxypregn-5-ene-11,20-dione?
The molecular weight of (3beta)-3-Hydroxypregn-5-ene-11,20-dione is 330.22 g/mol.
Where can I buy (3beta)-3-Hydroxypregn-5-ene-11,20-dione?
You can request a quote for (3beta)-3-Hydroxypregn-5-ene-11,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-3-Hydroxypregn-5-ene-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-3-Hydroxypregn-5-ene-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.