12-Oxo-9(11)-dehydroestradiol
TL;DR: 12-Oxo-9(11)-dehydroestradiol (CAS 16143-51-4) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-12-one
Also Known As: 12-Oxo-E2, 12-Oxo-9(11)-dehydroestradiol, 3,17-Dihydroxyestra-1(10),2,4,9(11)-tetraen-12-one, 3,17beta-Dihydroxyestra-1(10),2,4,9(11)-tetraen-12-one, 3,17
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 16143-51-4 |
|---|---|
| SMILES | C[C@]12[C@@H](CC[C@@H]1O)[C@@H]3CCC4=C(C3=CC2=O)C=CC(=C4)O |
| InChIKey | UFZJCFGLLBQULK-VKZRIFJHSA-N |
Product Overview
12-Oxo-9(11)-dehydroestradiol (CAS 16143-51-4), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (8S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-12-one.
Chemical Property Profile of 12-Oxo-9(11)-dehydroestradiol
Property Insights of 12-Oxo-9(11)-dehydroestradiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxo-9(11)-dehydroestradiol. With a topological polar surface area (TPSA) of 57.5 Ų, 12-Oxo-9(11)-dehydroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxo-9(11)-dehydroestradiol 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 12-Oxo-9(11)-dehydroestradiol?
The CAS number of 12-Oxo-9(11)-dehydroestradiol is 16143-51-4.
What is the molecular formula of 12-Oxo-9(11)-dehydroestradiol?
The molecular formula of 12-Oxo-9(11)-dehydroestradiol is C18H20O3.
What is the molecular weight of 12-Oxo-9(11)-dehydroestradiol?
The molecular weight of 12-Oxo-9(11)-dehydroestradiol is 284.14 g/mol.
Where can I buy 12-Oxo-9(11)-dehydroestradiol?
You can request a quote for 12-Oxo-9(11)-dehydroestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxo-9(11)-dehydroestradiol?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxo-9(11)-dehydroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.