(2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
TL;DR: (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile (CAS 1971-42-2) is a chemical compound with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
Also Known As: AB00079427-01, 3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)acrylonitrile, (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile, (Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)acrylonitrile, (Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C17H13ClN2O4 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0564 |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 1971-42-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C(=C/C2=CC=C(C=C2)Cl)/C#N)[N+](=O)[O-])OC |
| InChIKey | QAHZAAJXISTMQN-KPKJPENVSA-N |
Product Overview
(2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile (CAS 1971-42-2), with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
Property Insights of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.1 indicates that (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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 (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile?
The CAS number of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile is 1971-42-2.
What is the molecular formula of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile is C17H13ClN2O4.
What is the molecular weight of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile is 344.06 g/mol.
Where can I buy (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)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 (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(4-chlorophenyl)-2-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.