3-(p-Chlorophenyl)-2-phenylacrylonitrile
TL;DR: 3-(p-Chlorophenyl)-2-phenylacrylonitrile (CAS 37629-64-4) is a chemical compound with molecular formula C15H10ClN and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrile
Also Known As: 3-(p-Chlorophenyl)-2-phenylacrylonitrile, p-Chloro-alpha-phenylcinnamonitrile, 4-Chlor-benzal-(benzyl-cyanid), P-CHLORO-A-PHENYLCINNAMONITRILE, p-Chloro-.alpha.-phenylcinnamonitrile
| Molecular Formula | C15H10ClN |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05017 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 37629-64-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)Cl)/C#N |
| InChIKey | WHZUHCZQGFNGNH-GXDHUFHOSA-N |
Product Overview
3-(p-Chlorophenyl)-2-phenylacrylonitrile (CAS 37629-64-4), with molecular formula C15H10ClN and molecular weight 239.05 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3-(p-Chlorophenyl)-2-phenylacrylonitrile
Property Insights of 3-(p-Chlorophenyl)-2-phenylacrylonitrile
The XLogP value of 4.3 indicates that 3-(p-Chlorophenyl)-2-phenylacrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(p-Chlorophenyl)-2-phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Chlorophenyl)-2-phenylacrylonitrile has 0 hydrogen bond donor(s) and 1 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 3-(p-Chlorophenyl)-2-phenylacrylonitrile?
The CAS number of 3-(p-Chlorophenyl)-2-phenylacrylonitrile is 37629-64-4.
What is the molecular formula of 3-(p-Chlorophenyl)-2-phenylacrylonitrile?
The molecular formula of 3-(p-Chlorophenyl)-2-phenylacrylonitrile is C15H10ClN.
What is the molecular weight of 3-(p-Chlorophenyl)-2-phenylacrylonitrile?
The molecular weight of 3-(p-Chlorophenyl)-2-phenylacrylonitrile is 239.05 g/mol.
Where can I buy 3-(p-Chlorophenyl)-2-phenylacrylonitrile?
You can request a quote for 3-(p-Chlorophenyl)-2-phenylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Chlorophenyl)-2-phenylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Chlorophenyl)-2-phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.