11alpha,17beta-Dihydroxyestr-4-en-3-one
TL;DR: 11alpha,17beta-Dihydroxyestr-4-en-3-one (CAS 2133-53-1) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: KST-1A3072, A)-11,17-dihydroxyestr-4-en-3-one, A,17, (11, A,17
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 2133-53-1 |
|---|---|
| SMILES | C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34)O |
| InChIKey | DZMDSUHTQULTAH-TTYRWSMDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11alpha,17beta-Dihydroxyestr-4-en-3-one (CAS 2133-53-1), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11alpha,17beta-Dihydroxyestr-4-en-3-one
Property Insights of 11alpha,17beta-Dihydroxyestr-4-en-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11alpha,17beta-Dihydroxyestr-4-en-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 11alpha,17beta-Dihydroxyestr-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11alpha,17beta-Dihydroxyestr-4-en-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 11alpha,17beta-Dihydroxyestr-4-en-3-one?
The CAS number of 11alpha,17beta-Dihydroxyestr-4-en-3-one is 2133-53-1.
What is the molecular formula of 11alpha,17beta-Dihydroxyestr-4-en-3-one?
The molecular formula of 11alpha,17beta-Dihydroxyestr-4-en-3-one is C18H26O3.
What is the molecular weight of 11alpha,17beta-Dihydroxyestr-4-en-3-one?
The molecular weight of 11alpha,17beta-Dihydroxyestr-4-en-3-one is 290.19 g/mol.
Where can I buy 11alpha,17beta-Dihydroxyestr-4-en-3-one?
You can request a quote for 11alpha,17beta-Dihydroxyestr-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11alpha,17beta-Dihydroxyestr-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11alpha,17beta-Dihydroxyestr-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.