Oxepinac
TL;DR: Oxepinac (CAS 55689-65-1) 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-3-yl)acetic acid
Also Known As: Oxepinac, Oxepinaco, Oxepinacum, Oxepinac [INN], Oxepinaco [Spanish]
| 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 | 55689-65-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O |
| InChIKey | PYIHCGFQQSKYBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxepinac (CAS 55689-65-1), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid.
Chemical Property Profile of Oxepinac
Property Insights of Oxepinac
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxepinac. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxepinac. Following Lipinski's Rule of Five, Oxepinac 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 Oxepinac?
The CAS number of Oxepinac is 55689-65-1.
What is the molecular formula of Oxepinac?
The molecular formula of Oxepinac is C16H12O4.
What is the molecular weight of Oxepinac?
The molecular weight of Oxepinac is 268.07 g/mol.
Where can I buy Oxepinac?
You can request a quote for Oxepinac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxepinac?
Yes, KEHONG BIO provides custom synthesis services for Oxepinac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.