6-Ketoestradiol
TL;DR: 6-Ketoestradiol (CAS 571-92-6) 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,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
Also Known As: 6-Ketoestradiol, 6-Oxoestradiol, 6-keto estradiol, 6 Keto Estradiol, 6-Keto 17
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.8 |
| 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 | 571-92-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C3C=CC(=C4)O |
| InChIKey | ZHTDDOWJIRXOMA-YVEZLPLXSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ketoestradiol (CAS 571-92-6), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 6-Ketoestradiol
Property Insights of 6-Ketoestradiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ketoestradiol. With a topological polar surface area (TPSA) of 57.5 Ų, 6-Ketoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-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 6-Ketoestradiol?
The CAS number of 6-Ketoestradiol is 571-92-6.
What is the molecular formula of 6-Ketoestradiol?
The molecular formula of 6-Ketoestradiol is C18H22O3.
What is the molecular weight of 6-Ketoestradiol?
The molecular weight of 6-Ketoestradiol is 286.16 g/mol.
Where can I buy 6-Ketoestradiol?
You can request a quote for 6-Ketoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ketoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Ketoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.