![3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid structure](/static/products/3473/347379-88-8.webp)
3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid
TL;DR: 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid (CAS 347379-88-8) is a chemical compound with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoic acid
Also Known As: 3-{[4-(2,2-dicyanoethenyl)phenoxy]methyl}benzoic acid, 3-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoic Acid, 3-{[4-(2,2-dicyanovinyl)phenoxy]methyl}benzoic acid
| Molecular Formula | C18H12N2O3 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.39436 |
| Topological Polar Surface Area | 94.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.08478 |
| Heavy Atoms | 23 |
| Complexity | 808.58057 |
Chemical Identifiers
| CAS Number | 347379-88-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COC2=CC=C(C=C2)C=C(C#N)C#N |
Product Overview
3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid (CAS 347379-88-8), with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol. IUPAC: 3-[[4-(2,2-dicyanoethenyl)phenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid
Property Insights of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid
The XLogP value of 3.39436 indicates that 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid. Following Lipinski's Rule of Five, 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid 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 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid?
The CAS number of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid is 347379-88-8.
What is the molecular formula of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid?
The molecular formula of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid is C18H12N2O3.
What is the molecular weight of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid?
The molecular weight of 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid is 304.08 g/mol.
Where can I buy 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid?
You can request a quote for 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2,2-Dicyanoethenyl)phenoxy]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.