(4-Cyanophenyl)methyl benzoate
TL;DR: (4-Cyanophenyl)methyl benzoate (CAS 134838-29-2) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl benzoate
Also Known As: (4-cyanophenyl)methyl benzoate, 4-CYANOBENZYL BENZOATE, 4-[(Benzoyloxy)methyl]benzonitrile, Benzoic acid 4-cyanobenzyl ester
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.91528 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 567.6926 |
Chemical Identifiers
| CAS Number | 134838-29-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N |
Product Overview
(4-Cyanophenyl)methyl benzoate (CAS 134838-29-2), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: (4-cyanophenyl)methyl benzoate.
Chemical Property Profile of (4-Cyanophenyl)methyl benzoate
Property Insights of (4-Cyanophenyl)methyl benzoate
The XLogP value of 2.91528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanophenyl)methyl benzoate. With a topological polar surface area (TPSA) of 50.09 Ų, (4-Cyanophenyl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl benzoate has 0 hydrogen bond donor(s) and 3 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-Cyanophenyl)methyl benzoate?
The CAS number of (4-Cyanophenyl)methyl benzoate is 134838-29-2.
What is the molecular formula of (4-Cyanophenyl)methyl benzoate?
The molecular formula of (4-Cyanophenyl)methyl benzoate is C15H11NO2.
What is the molecular weight of (4-Cyanophenyl)methyl benzoate?
The molecular weight of (4-Cyanophenyl)methyl benzoate is 237.08 g/mol.
Where can I buy (4-Cyanophenyl)methyl benzoate?
You can request a quote for (4-Cyanophenyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.