(Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile
TL;DR: (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile (CAS 95187-57-8) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Also Known As: J2.938.620J, (2z)-2-(4-chlorophenyl)-3-(1h-pyrrol-2-yl)acrylonitrile, (alphaZ)-alpha-(4-Chlorophenyl)-1H-pyrrole-2-acrylonitrile, (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile, 2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
| Molecular Formula | C13H9ClN2 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 3.73228 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04543 |
| Heavy Atoms | 16 |
| Complexity | 530.3116 |
Chemical Identifiers
| CAS Number | 95187-57-8 |
|---|---|
| SMILES | C1=CNC(=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl |
Product Overview
(Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile (CAS 95187-57-8), with molecular formula C13H9ClN2 and molecular weight 228.05 g/mol. IUPAC: (Z)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile
Property Insights of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile
The XLogP value of 3.73228 indicates that (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile has 1 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 (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile?
The CAS number of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile is 95187-57-8.
What is the molecular formula of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile?
The molecular formula of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile is C13H9ClN2.
What is the molecular weight of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile?
The molecular weight of (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile is 228.05 g/mol.
Where can I buy (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile?
You can request a quote for (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile 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-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-Chloro-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.