Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester
TL;DR: Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester (CAS 89549-76-8) is a chemical compound with molecular formula C15H10FNO2 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(4-fluorophenyl)methyl] benzoate
Also Known As: cyano(4-fluorophenyl)methyl benzoate, [cyano-(4-fluorophenyl)methyl] Benzoate, BENZOIC ACID CYANO-(4-FLUORO-PHENYL)-METHYL ESTER, 685-006-7, RefChem:565256
| Molecular Formula | C15H10FNO2 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 3.24738 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06955 |
| Heavy Atoms | 19 |
| Complexity | 602.2927 |
Chemical Identifiers
| CAS Number | 89549-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC=C(C=C2)F |
Product Overview
Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester (CAS 89549-76-8), with molecular formula C15H10FNO2 and molecular weight 255.07 g/mol. IUPAC: [cyano-(4-fluorophenyl)methyl] benzoate.
Chemical Property Profile of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester
Property Insights of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester
The XLogP value of 3.24738 indicates that Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester 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 Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester?
The CAS number of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester is 89549-76-8.
What is the molecular formula of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester?
The molecular formula of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester is C15H10FNO2.
What is the molecular weight of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester?
The molecular weight of Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester is 255.07 g/mol.
Where can I buy Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester?
You can request a quote for Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid cyano-(4-fluoro-phenyl)-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.