Isoxepac
TL;DR: Isoxepac (CAS 55453-87-7) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
Also Known As: Isoxepac, Artil, Arelix, Isoxepacum, Isoxepaco
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 55453-87-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O |
| InChIKey | QFGMXJOBTNZHEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxepac (CAS 55453-87-7), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid.
Chemical Property Profile of Isoxepac
Property Insights of Isoxepac
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxepac. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxepac. Following Lipinski's Rule of Five, Isoxepac has 1 hydrogen bond donor(s) and 4 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 Isoxepac?
The CAS number of Isoxepac is 55453-87-7.
What is the molecular formula of Isoxepac?
The molecular formula of Isoxepac is C16H12O4.
What is the molecular weight of Isoxepac?
The molecular weight of Isoxepac is 268.07 g/mol.
Where can I buy Isoxepac?
You can request a quote for Isoxepac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxepac?
Yes, KEHONG BIO provides custom synthesis services for Isoxepac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.