Pregnane-3alpha,17alpha-diol-11,20-dione
TL;DR: Pregnane-3alpha,17alpha-diol-11,20-dione (CAS 641-78-1) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: Pregnane-3alpha,17alpha-diol-11,20-dione, 17alpha-Hydroxy-11-ketopregnanolone, KST-1A7211, 17, A-Hydroxy-11-ketopregnanolone
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 641-78-1 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O |
| InChIKey | AYEXSTRNLGYBSQ-YOBHSKELSA-N |
Product Overview
Pregnane-3alpha,17alpha-diol-11,20-dione (CAS 641-78-1), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: (3R,5R,8S,9S,10S,13S,14S,17R)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Pregnane-3alpha,17alpha-diol-11,20-dione
Property Insights of Pregnane-3alpha,17alpha-diol-11,20-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregnane-3alpha,17alpha-diol-11,20-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnane-3alpha,17alpha-diol-11,20-dione. Following Lipinski's Rule of Five, Pregnane-3alpha,17alpha-diol-11,20-dione has 2 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 Pregnane-3alpha,17alpha-diol-11,20-dione?
The CAS number of Pregnane-3alpha,17alpha-diol-11,20-dione is 641-78-1.
What is the molecular formula of Pregnane-3alpha,17alpha-diol-11,20-dione?
The molecular formula of Pregnane-3alpha,17alpha-diol-11,20-dione is C21H32O4.
What is the molecular weight of Pregnane-3alpha,17alpha-diol-11,20-dione?
The molecular weight of Pregnane-3alpha,17alpha-diol-11,20-dione is 348.23 g/mol.
Where can I buy Pregnane-3alpha,17alpha-diol-11,20-dione?
You can request a quote for Pregnane-3alpha,17alpha-diol-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 Pregnane-3alpha,17alpha-diol-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for Pregnane-3alpha,17alpha-diol-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.