3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile
TL;DR: 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile (CAS 1089302-54-4) is a chemical compound with molecular formula C15H11ClN2 and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
Also Known As: 3-anilino-2-(4-chlorophenyl)acrylonitrile, 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
| Molecular Formula | C15H11ClN2 |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 4.31658 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06108 |
| Heavy Atoms | 18 |
| Complexity | 580.1407 |
Chemical Identifiers
| CAS Number | 1089302-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C2=CC=C(C=C2)Cl |
Product Overview
3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile (CAS 1089302-54-4), with molecular formula C15H11ClN2 and molecular weight 254.06 g/mol. IUPAC: 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile
Property Insights of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile
The XLogP value of 4.31658 indicates that 3-Anilino-2-(4-chlorophenyl)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, 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilino-2-(4-chlorophenyl)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 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The CAS number of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile is 1089302-54-4.
What is the molecular formula of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The molecular formula of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile is C15H11ClN2.
What is the molecular weight of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The molecular weight of 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile is 254.06 g/mol.
Where can I buy 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile?
You can request a quote for 3-Anilino-2-(4-chlorophenyl)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 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-(4-chlorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.