4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile
TL;DR: 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile (CAS 36770-81-7) is a chemical compound with molecular formula C15H11Cl2N and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-chlorophenyl)propanenitrile
Also Known As: 2,3-bis(4-chlorophenyl)propanenitrile, 2,3-bis(4-chlorophenyl)-propionitrile, J2.747.248F, alpha-(p-chlorobenzyl)-p-chlorophenyl acetonitrile, 4-CHLORO-ALPHA-(4-CHLOROPHENYL)HYDROCINNAMONITRILE
| Molecular Formula | C15H11Cl2N |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 4.84328 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.02686 |
| Heavy Atoms | 18 |
| Complexity | 552.5426 |
Chemical Identifiers
| CAS Number | 36770-81-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)Cl)Cl |
Product Overview
4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile (CAS 36770-81-7), with molecular formula C15H11Cl2N and molecular weight 275.03 g/mol. IUPAC: 2,3-bis(4-chlorophenyl)propanenitrile.
Chemical Property Profile of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile
Property Insights of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile
The XLogP value of 4.84328 indicates that 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile 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 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile?
The CAS number of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile is 36770-81-7.
What is the molecular formula of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile?
The molecular formula of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile is C15H11Cl2N.
What is the molecular weight of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile?
The molecular weight of 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile is 275.03 g/mol.
Where can I buy 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile?
You can request a quote for 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-alpha-(4-chlorophenyl)hydrocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.