17-Hydroxypregnane-3,11,20-trione
TL;DR: 17-Hydroxypregnane-3,11,20-trione (CAS 1923-68-8) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 17-hydroxypregnane-3,11,20-trione, 5.beta.-Pregnane-3,11,20-trione, 17-hydroxy-, 5B-pregnane-3,11,20-trione,17-hydroxy-(6ci,8ci), 17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 1923-68-8 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(=O)C4)C)C)O |
| InChIKey | QFXXVTGREOEPLZ-UHFFFAOYSA-N |
Product Overview
17-Hydroxypregnane-3,11,20-trione (CAS 1923-68-8), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 17-Hydroxypregnane-3,11,20-trione
Property Insights of 17-Hydroxypregnane-3,11,20-trione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxypregnane-3,11,20-trione. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxypregnane-3,11,20-trione. Following Lipinski's Rule of Five, 17-Hydroxypregnane-3,11,20-trione has 1 hydrogen bond donor(s) and 4 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 17-Hydroxypregnane-3,11,20-trione?
The CAS number of 17-Hydroxypregnane-3,11,20-trione is 1923-68-8.
What is the molecular formula of 17-Hydroxypregnane-3,11,20-trione?
The molecular formula of 17-Hydroxypregnane-3,11,20-trione is C21H30O4.
What is the molecular weight of 17-Hydroxypregnane-3,11,20-trione?
The molecular weight of 17-Hydroxypregnane-3,11,20-trione is 346.21 g/mol.
Where can I buy 17-Hydroxypregnane-3,11,20-trione?
You can request a quote for 17-Hydroxypregnane-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxypregnane-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxypregnane-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.