17-Deoxycortolonic acid
TL;DR: 17-Deoxycortolonic acid (CAS 6641-78-7) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Also Known As: 17-Deoxycortolonic acid, KST-1A7321, 3,20-Dihydroxy-11-oxopregnan-21-oic acid, (3, A,5
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 6641-78-7 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(C(=O)O)O)C)O |
| InChIKey | AZHUSSGWDVTGEL-PLBLQAHQSA-N |
Product Overview
17-Deoxycortolonic acid (CAS 6641-78-7), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: 2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid.
Chemical Property Profile of 17-Deoxycortolonic acid
Property Insights of 17-Deoxycortolonic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Deoxycortolonic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Deoxycortolonic acid. Following Lipinski's Rule of Five, 17-Deoxycortolonic acid has 3 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 17-Deoxycortolonic acid?
The CAS number of 17-Deoxycortolonic acid is 6641-78-7.
What is the molecular formula of 17-Deoxycortolonic acid?
The molecular formula of 17-Deoxycortolonic acid is C21H32O5.
What is the molecular weight of 17-Deoxycortolonic acid?
The molecular weight of 17-Deoxycortolonic acid is 364.22 g/mol.
Where can I buy 17-Deoxycortolonic acid?
You can request a quote for 17-Deoxycortolonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Deoxycortolonic acid?
Yes, KEHONG BIO provides custom synthesis services for 17-Deoxycortolonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.