Benzyl 4-cyanobenzoate
TL;DR: Benzyl 4-cyanobenzoate (CAS 18693-97-5) 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.
benzyl 4-cyanobenzoate
Also Known As: Benzyl 4-cyanobenzoate, Benzyl4-cyanobenzoate, 4-cyano-benzoic acid benzyl ester, Benzyl 4-cyanobenzoate #, 4-Cyanobenzoic acid, benzyl ester
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 18693-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C#N |
| InChIKey | GIDNRRAOOBZPAB-UHFFFAOYSA-N |
Product Overview
Benzyl 4-cyanobenzoate (CAS 18693-97-5), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: benzyl 4-cyanobenzoate.
Chemical Property Profile of Benzyl 4-cyanobenzoate
Property Insights of Benzyl 4-cyanobenzoate
The XLogP value of 3.7 indicates that Benzyl 4-cyanobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Benzyl 4-cyanobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-cyanobenzoate 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 Benzyl 4-cyanobenzoate?
The CAS number of Benzyl 4-cyanobenzoate is 18693-97-5.
What is the molecular formula of Benzyl 4-cyanobenzoate?
The molecular formula of Benzyl 4-cyanobenzoate is C15H11NO2.
What is the molecular weight of Benzyl 4-cyanobenzoate?
The molecular weight of Benzyl 4-cyanobenzoate is 237.08 g/mol.
Where can I buy Benzyl 4-cyanobenzoate?
You can request a quote for Benzyl 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.