11beta,21-Dihydroxypregna-4,17-dien-3-one
TL;DR: 11beta,21-Dihydroxypregna-4,17-dien-3-one (CAS 3494-53-9) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 11beta,21-Dihydroxypregna-4,17-dien-3-one, 11-beta,21-dihydroxypregna-4,17 -dien-3-one, 11beta,21-dihydroxypregna-4,17(20)-dien-3-one, (11I(2))-11,21-Dihydroxypregna-4,17(20)-dien-3-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 3494-53-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=CCO)C)O |
| InChIKey | SBMHTRUNPKWTLU-LEZSPFLNSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11beta,21-Dihydroxypregna-4,17-dien-3-one (CAS 3494-53-9), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11beta,21-Dihydroxypregna-4,17-dien-3-one
Property Insights of 11beta,21-Dihydroxypregna-4,17-dien-3-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11beta,21-Dihydroxypregna-4,17-dien-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 11beta,21-Dihydroxypregna-4,17-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11beta,21-Dihydroxypregna-4,17-dien-3-one 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 11beta,21-Dihydroxypregna-4,17-dien-3-one?
The CAS number of 11beta,21-Dihydroxypregna-4,17-dien-3-one is 3494-53-9.
What is the molecular formula of 11beta,21-Dihydroxypregna-4,17-dien-3-one?
The molecular formula of 11beta,21-Dihydroxypregna-4,17-dien-3-one is C21H30O3.
What is the molecular weight of 11beta,21-Dihydroxypregna-4,17-dien-3-one?
The molecular weight of 11beta,21-Dihydroxypregna-4,17-dien-3-one is 330.22 g/mol.
Where can I buy 11beta,21-Dihydroxypregna-4,17-dien-3-one?
You can request a quote for 11beta,21-Dihydroxypregna-4,17-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11beta,21-Dihydroxypregna-4,17-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11beta,21-Dihydroxypregna-4,17-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.