11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-
TL;DR: 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- (CAS 28449-40-3) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-, Pregna-1,4,17(20)-trien-3-one,11,21-dihydroxy-, (11b,17Z)- (9CI), 11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 28449-40-3 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2=CCO)CCC4=CC(=O)C=CC34C)O |
| InChIKey | FIMYJWIQTVIDQB-UHFFFAOYSA-N |
Product Overview
11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- (CAS 28449-40-3), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-
Property Insights of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-. With a topological polar surface area (TPSA) of 57.5 Ų, 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- has 2 hydrogen bond donor(s) and 3 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 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-?
The CAS number of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- is 28449-40-3.
What is the molecular formula of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-?
The molecular formula of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- is C21H28O3.
What is the molecular weight of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-?
The molecular weight of 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- is 328.20 g/mol.
Where can I buy 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-?
You can request a quote for 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)-?
Yes, KEHONG BIO provides custom synthesis services for 11,21-Dihydroxypregna-1,4,17(20)-trien-3-one, (11beta,17Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.