2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile
TL;DR: 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile (CAS 92686-29-8) is a chemical compound with molecular formula C11H11ClN2 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-(dimethylamino)acrylonitrile, (2z)-2-(4-chlorophenyl)-3-(dimethylamino)prop-2-enenitrile, 2- -3- ACRYLONITRILE, KST-1A4633, chlorophenyldimethylaminoacrylonitrile
| Molecular Formula | C11H11ClN2 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06108 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 92686-29-8 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C1=CC=C(C=C1)Cl |
| InChIKey | XWVICHJROMBTEV-CSKARUKUSA-N |
Product Overview
2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile (CAS 92686-29-8), with molecular formula C11H11ClN2 and molecular weight 206.06 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile
Property Insights of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile has 0 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 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile?
The CAS number of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile is 92686-29-8.
What is the molecular formula of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile is C11H11ClN2.
What is the molecular weight of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile is 206.06 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-(dimethylamino)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-(dimethylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.