16-Ketoestradiol
TL;DR: 16-Ketoestradiol (CAS 566-75-6) 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.
(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
Also Known As: 16-Ketoestradiol, 16-Oxoestradiol, 16-keto-estriol, Estradiol Impurity 4, 16-Keto-estradiol
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.9 |
| 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 | 566-75-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | KJDGFQJCHFJTRH-YONAWACDSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16-Ketoestradiol (CAS 566-75-6), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one.
Chemical Property Profile of 16-Ketoestradiol
Property Insights of 16-Ketoestradiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Ketoestradiol. With a topological polar surface area (TPSA) of 57.5 Ų, 16-Ketoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Ketoestradiol 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 16-Ketoestradiol?
The CAS number of 16-Ketoestradiol is 566-75-6.
What is the molecular formula of 16-Ketoestradiol?
The molecular formula of 16-Ketoestradiol is C18H22O3.
What is the molecular weight of 16-Ketoestradiol?
The molecular weight of 16-Ketoestradiol is 286.16 g/mol.
Where can I buy 16-Ketoestradiol?
You can request a quote for 16-Ketoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Ketoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 16-Ketoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.