11,20-Dihydroxy-4-pregnene-3-one-21-oic acid
TL;DR: 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid (CAS 32808-63-2) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Also Known As: Dioh-4-poa, 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid, KST-1A3834, 11,20-dihydroxy-4-pregnene-3-one-21-oicacid, 11beta,20 beta-Dihydroxy-4-pregnene-3-one-21-oic acid
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 32808-63-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4[C@@H](C(=O)O)O)C)O |
| InChIKey | NCZRCNAAHNGILW-CPZQJQDXSA-N |
Product Overview
11,20-Dihydroxy-4-pregnene-3-one-21-oic acid (CAS 32808-63-2), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid.
Chemical Property Profile of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid
Property Insights of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid. Following Lipinski's Rule of Five, 11,20-Dihydroxy-4-pregnene-3-one-21-oic 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 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid?
The CAS number of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid is 32808-63-2.
What is the molecular formula of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid?
The molecular formula of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid is C21H30O5.
What is the molecular weight of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid?
The molecular weight of 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid is 362.21 g/mol.
Where can I buy 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid?
You can request a quote for 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 11,20-Dihydroxy-4-pregnene-3-one-21-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.