(Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile
TL;DR: (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile (CAS 338403-04-6) is a chemical compound with molecular formula C16H13ClN2 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-(2-toluidino)acrylonitrile, (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile
| Molecular Formula | C16H13ClN2 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 4.625 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07672 |
| Heavy Atoms | 19 |
| Complexity | 636.54364 |
Chemical Identifiers
| CAS Number | 338403-04-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N/C=C(\C#N)/C2=CC=C(C=C2)Cl |
Product Overview
(Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile (CAS 338403-04-6), with molecular formula C16H13ClN2 and molecular weight 268.08 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile
Property Insights of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile
The XLogP value of 4.625 indicates that (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile has 1 hydrogen bond donor(s) and 2 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 (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile?
The CAS number of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile is 338403-04-6.
What is the molecular formula of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile?
The molecular formula of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile is C16H13ClN2.
What is the molecular weight of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile?
The molecular weight of (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile is 268.08 g/mol.
Where can I buy (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile?
You can request a quote for (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-chlorophenyl)-3-(2-methylanilino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.