Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate
TL;DR: Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate (CAS 225657-76-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate
Also Known As: Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate, [1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-(hydroxymethyl)-, methylester, Methyl3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate, 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoic acid methyl ester
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.50418 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 686.36163 |
Chemical Identifiers
| CAS Number | 225657-76-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CO |
Product Overview
Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate (CAS 225657-76-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate.
Chemical Property Profile of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate
Property Insights of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate
The XLogP value of 2.50418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate 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 Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate?
The CAS number of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate is 225657-76-1.
What is the molecular formula of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate?
The molecular formula of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate is C16H13NO3.
What is the molecular weight of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate?
The molecular weight of Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate is 267.09 g/mol.
Where can I buy Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate?
You can request a quote for Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)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-(3-cyanophenyl)-5-(hydroxymethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-cyanophenyl)-5-(hydroxymethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.