Estradiol-2,3-O-quinone
TL;DR: Estradiol-2,3-O-quinone (CAS 42261-16-5) 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)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione
Also Known As: Estradiol-2,3-quinone, Estradiol-2,3-O-quinone, 17beta-Estradiol-2,3-quinone, 17-Hydroxyestra-1(10),4-diene-2,3-dione, 17beta-Hydroxy-1(10),4-estradiene-2,3-dione
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 42261-16-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C(=O)C=C34 |
| InChIKey | LBSRSXWOMYPVBY-XSSYPUMDSA-N |
Product Overview
Estradiol-2,3-O-quinone (CAS 42261-16-5), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione.
Chemical Property Profile of Estradiol-2,3-O-quinone
Property Insights of Estradiol-2,3-O-quinone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estradiol-2,3-O-quinone. With a topological polar surface area (TPSA) of 54.4 Ų, Estradiol-2,3-O-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol-2,3-O-quinone has 1 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 Estradiol-2,3-O-quinone?
The CAS number of Estradiol-2,3-O-quinone is 42261-16-5.
What is the molecular formula of Estradiol-2,3-O-quinone?
The molecular formula of Estradiol-2,3-O-quinone is C18H22O3.
What is the molecular weight of Estradiol-2,3-O-quinone?
The molecular weight of Estradiol-2,3-O-quinone is 286.16 g/mol.
Where can I buy Estradiol-2,3-O-quinone?
You can request a quote for Estradiol-2,3-O-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-2,3-O-quinone?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-2,3-O-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.