RefChem:131059
TL;DR: RefChem:131059 (CAS 55690-47-6) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 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)propanoic acid
Also Known As: 2-(6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-yl)propionic acid, 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid, 5-18-08-00466 (Beilstein Handbook Reference), DIBENZ(b,e)OXEPIN-3-ACETIC ACID, 6,11-DIHYDRO-alpha-METHYL-11-OXO-, 2-(11-oxo-6H-benzo[c][2]benzoxepin-3-yl)propanoic acid
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 55690-47-6 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CO2)C(=O)O |
| InChIKey | ZLHKCAHRTBIOOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:131059 (CAS 55690-47-6), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid.
Chemical Property Profile of RefChem:131059
Property Insights of RefChem:131059
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:131059. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:131059. Following Lipinski's Rule of Five, RefChem:131059 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 RefChem:131059?
The CAS number of RefChem:131059 is 55690-47-6.
What is the molecular formula of RefChem:131059?
The molecular formula of RefChem:131059 is C17H14O4.
What is the molecular weight of RefChem:131059?
The molecular weight of RefChem:131059 is 282.09 g/mol.
Where can I buy RefChem:131059?
You can request a quote for RefChem:131059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:131059?
Yes, KEHONG BIO provides custom synthesis services for RefChem:131059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.