4-(3,4-dicyanophenoxy)benzoic Acid
TL;DR: 4-(3,4-dicyanophenoxy)benzoic Acid (CAS 85218-66-2) is a chemical compound with molecular formula C15H8N2O3 and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dicyanophenoxy)benzoic acid
Also Known As: 4-(3,4-dicyanophenoxy)benzoic Acid, Benzoic acid, 4-(3,4-dicyanophenoxy)-, 4-(p-carboxyphenyloxy)phthalonitrile, 4-(4-carboxy-phenoxy) phthalonitrile, J3.143.654K
| Molecular Formula | C15H8N2O3 |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0535 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 85218-66-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=CC(=C(C=C2)C#N)C#N |
| InChIKey | WBLCQMXLGKWTAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-dicyanophenoxy)benzoic Acid (CAS 85218-66-2), with molecular formula C15H8N2O3 and molecular weight 264.05 g/mol. IUPAC: 4-(3,4-dicyanophenoxy)benzoic acid.
Chemical Property Profile of 4-(3,4-dicyanophenoxy)benzoic Acid
Property Insights of 4-(3,4-dicyanophenoxy)benzoic Acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dicyanophenoxy)benzoic Acid. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dicyanophenoxy)benzoic Acid. Following Lipinski's Rule of Five, 4-(3,4-dicyanophenoxy)benzoic Acid has 1 hydrogen bond donor(s) and 5 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 4-(3,4-dicyanophenoxy)benzoic Acid?
The CAS number of 4-(3,4-dicyanophenoxy)benzoic Acid is 85218-66-2.
What is the molecular formula of 4-(3,4-dicyanophenoxy)benzoic Acid?
The molecular formula of 4-(3,4-dicyanophenoxy)benzoic Acid is C15H8N2O3.
What is the molecular weight of 4-(3,4-dicyanophenoxy)benzoic Acid?
The molecular weight of 4-(3,4-dicyanophenoxy)benzoic Acid is 264.05 g/mol.
Where can I buy 4-(3,4-dicyanophenoxy)benzoic Acid?
You can request a quote for 4-(3,4-dicyanophenoxy)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dicyanophenoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dicyanophenoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.