Methyl 3-(4-cyanophenyl)benzoate
TL;DR: Methyl 3-(4-cyanophenyl)benzoate (CAS 149505-91-9) 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.
methyl 3-(4-cyanophenyl)benzoate
Also Known As: Methyl 3-(4-cyanophenyl)benzoate, Methyl 4'-cyano-[1,1'-biphenyl]-3-carboxylate, 7453AA, methyl 4'-cyano[1,1'-biphenyl]-3-carboxylate, Methyl4'-cyano-[1,1'-biphenyl]-3-carboxylate
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.01188 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 609.13586 |
Chemical Identifiers
| CAS Number | 149505-91-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C#N |
Product Overview
Methyl 3-(4-cyanophenyl)benzoate (CAS 149505-91-9), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: methyl 3-(4-cyanophenyl)benzoate.
Chemical Property Profile of Methyl 3-(4-cyanophenyl)benzoate
Property Insights of Methyl 3-(4-cyanophenyl)benzoate
The XLogP value of 3.01188 indicates that Methyl 3-(4-cyanophenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 3-(4-cyanophenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-cyanophenyl)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 Methyl 3-(4-cyanophenyl)benzoate?
The CAS number of Methyl 3-(4-cyanophenyl)benzoate is 149505-91-9.
What is the molecular formula of Methyl 3-(4-cyanophenyl)benzoate?
The molecular formula of Methyl 3-(4-cyanophenyl)benzoate is C15H11NO2.
What is the molecular weight of Methyl 3-(4-cyanophenyl)benzoate?
The molecular weight of Methyl 3-(4-cyanophenyl)benzoate is 237.08 g/mol.
Where can I buy Methyl 3-(4-cyanophenyl)benzoate?
You can request a quote for Methyl 3-(4-cyanophenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-cyanophenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-cyanophenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.