2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile
TL;DR: 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile (CAS 338402-85-0) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(4-methoxyanilino)prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-(4-methoxyanilino)acrylonitrile, (Z)-2-(4-chlorophenyl)-3-(4-methoxyanilino)prop-2-enenitrile
| Molecular Formula | C16H13ClN2O |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 4.32518 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07166 |
| Heavy Atoms | 20 |
| Complexity | 639.67224 |
Chemical Identifiers
| CAS Number | 338402-85-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N/C=C(\C#N)/C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile (CAS 338402-85-0), with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(4-methoxyanilino)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile
Property Insights of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile
The XLogP value of 4.32518 indicates that 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile has 1 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 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile is 338402-85-0.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile is C16H13ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile is 284.07 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(4-methoxyanilino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.