![[(4-Chlorophenyl)-cyanomethyl] benzoate structure](/static/products/1978/19788-56-8.webp)
[(4-Chlorophenyl)-cyanomethyl] benzoate
TL;DR: [(4-Chlorophenyl)-cyanomethyl] benzoate (CAS 19788-56-8) is a chemical compound with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-chlorophenyl)-cyanomethyl] benzoate
Also Known As: [(4-chlorophenyl)-cyanomethyl] benzoate|(4-Chlorophenyl)(cyano)methyl benzoate|Mandelonitrile, p-chloro-, benzoate (ester)|alpha-(Benzoyloxy)-4-chlorobenzeneacetonitrile|(4-Chlorophenyl)(cyano)methyl benzoate #|Benzeneacetonitrile, .alpha.-(benzoyloxy)-4-chloro-|JIXHRDQEHLUULV-UHFFFAOYSA-N
| Molecular Formula | C15H10ClNO2 |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 19788-56-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | JIXHRDQEHLUULV-UHFFFAOYSA-N |
Product Overview
[(4-Chlorophenyl)-cyanomethyl] benzoate (CAS 19788-56-8), with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol. IUPAC: [(4-chlorophenyl)-cyanomethyl] benzoate.
Chemical Property Profile of [(4-Chlorophenyl)-cyanomethyl] benzoate
Property Insights of [(4-Chlorophenyl)-cyanomethyl] benzoate
The XLogP value of 3.9 indicates that [(4-Chlorophenyl)-cyanomethyl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, [(4-Chlorophenyl)-cyanomethyl] benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Chlorophenyl)-cyanomethyl] 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-Chlorophenyl)-cyanomethyl] benzoate?
The CAS number of [(4-Chlorophenyl)-cyanomethyl] benzoate is 19788-56-8.
What is the molecular formula of [(4-Chlorophenyl)-cyanomethyl] benzoate?
The molecular formula of [(4-Chlorophenyl)-cyanomethyl] benzoate is C15H10ClNO2.
What is the molecular weight of [(4-Chlorophenyl)-cyanomethyl] benzoate?
The molecular weight of [(4-Chlorophenyl)-cyanomethyl] benzoate is 271.04 g/mol.
Where can I buy [(4-Chlorophenyl)-cyanomethyl] benzoate?
You can request a quote for [(4-Chlorophenyl)-cyanomethyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Chlorophenyl)-cyanomethyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Chlorophenyl)-cyanomethyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.