16α-羟基雌酮
TL;DR: 16α-羟基雌酮 (CAS 566-76-7) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16α-羟基雌酮
(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 16alpha-Hydroxyestrone, 16, A-Hydroxyestrone, 16alpha-OHE1, 16-Hydroxyestrone
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 566-76-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | WPOCIZJTELRQMF-QFXBJFAPSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16α-羟基雌酮 (CAS 566-76-7), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 16α-羟基雌酮
Property Insights of 16α-羟基雌酮
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16α-羟基雌酮. With a topological polar surface area (TPSA) of 57.5 Ų, 16α-羟基雌酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16α-羟基雌酮 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 16α-羟基雌酮?
The CAS number of 16α-羟基雌酮 is 566-76-7.
What is the molecular formula of 16α-羟基雌酮?
The molecular formula of 16α-羟基雌酮 is C18H22O3.
What is the molecular weight of 16α-羟基雌酮?
The molecular weight of 16α-羟基雌酮 is 286.16 g/mol.
Where can I buy 16α-羟基雌酮?
You can request a quote for 16α-羟基雌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16α-羟基雌酮?
Yes, KEHONG BIO provides custom synthesis services for 16α-羟基雌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.