Pregn-4-ene-3,20-dione, 19,21-dihydroxy-
TL;DR: Pregn-4-ene-3,20-dione, 19,21-dihydroxy- (CAS 27491-26-5) 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,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 19-Hydroxydeoxycorticosterone, 19-Hydroxydesoxycorticosterone, 19,21-dihydroxyprogesterone, 19-Hydroxy-11-deoxycorticosterone, Pregn-4-ene-3,20-dione, 19,21-dihydroxy-
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 27491-26-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34CO |
| InChIKey | LFISWQXWWGJHBL-ZOCXKQACSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-4-ene-3,20-dione, 19,21-dihydroxy- (CAS 27491-26-5), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 19,21-dihydroxy-
Property Insights of Pregn-4-ene-3,20-dione, 19,21-dihydroxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-4-ene-3,20-dione, 19,21-dihydroxy-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 19,21-dihydroxy-. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 19,21-dihydroxy- 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 Pregn-4-ene-3,20-dione, 19,21-dihydroxy-?
The CAS number of Pregn-4-ene-3,20-dione, 19,21-dihydroxy- is 27491-26-5.
What is the molecular formula of Pregn-4-ene-3,20-dione, 19,21-dihydroxy-?
The molecular formula of Pregn-4-ene-3,20-dione, 19,21-dihydroxy- is C21H30O4.
What is the molecular weight of Pregn-4-ene-3,20-dione, 19,21-dihydroxy-?
The molecular weight of Pregn-4-ene-3,20-dione, 19,21-dihydroxy- is 346.21 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 19,21-dihydroxy-?
You can request a quote for Pregn-4-ene-3,20-dione, 19,21-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 19,21-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 19,21-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.