4-Pregnene-16alpha,21-diol-3,20-dione
TL;DR: 4-Pregnene-16alpha,21-diol-3,20-dione (CAS 6635-55-8) 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.
(8S,9S,10R,13S,14S,16R,17R)-16-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4-Pregnene-16alpha,21-diol-3,20-dione, Cortexolone Impurity 18, 16alpha,21-Dihydroxyprogesterone, 16alpha,21-Dihydroxypregn-4-ene-3,20-dione, 16
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 6635-55-8 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4C(=O)CO)O)C |
| InChIKey | XSQXOTFDJSEPRD-ROVFHEEESA-N |
Product Overview
4-Pregnene-16alpha,21-diol-3,20-dione (CAS 6635-55-8), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (8S,9S,10R,13S,14S,16R,17R)-16-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 4-Pregnene-16alpha,21-diol-3,20-dione
Property Insights of 4-Pregnene-16alpha,21-diol-3,20-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pregnene-16alpha,21-diol-3,20-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pregnene-16alpha,21-diol-3,20-dione. Following Lipinski's Rule of Five, 4-Pregnene-16alpha,21-diol-3,20-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 4-Pregnene-16alpha,21-diol-3,20-dione?
The CAS number of 4-Pregnene-16alpha,21-diol-3,20-dione is 6635-55-8.
What is the molecular formula of 4-Pregnene-16alpha,21-diol-3,20-dione?
The molecular formula of 4-Pregnene-16alpha,21-diol-3,20-dione is C21H30O4.
What is the molecular weight of 4-Pregnene-16alpha,21-diol-3,20-dione?
The molecular weight of 4-Pregnene-16alpha,21-diol-3,20-dione is 346.21 g/mol.
Where can I buy 4-Pregnene-16alpha,21-diol-3,20-dione?
You can request a quote for 4-Pregnene-16alpha,21-diol-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pregnene-16alpha,21-diol-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Pregnene-16alpha,21-diol-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.