3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
TL;DR: 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (CAS 736954-60-2) is a chemical compound with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
Also Known As: 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide, (Z)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
| Molecular Formula | C18H14ClN3O3 |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 4.41072 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.07236 |
| Heavy Atoms | 25 |
| Complexity | 909.3989 |
Chemical Identifiers
| CAS Number | 736954-60-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N |
Product Overview
3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (CAS 736954-60-2), with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol. IUPAC: (Z)-3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide.
Chemical Property Profile of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
Property Insights of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
The XLogP value of 4.41072 indicates that 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 4 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-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The CAS number of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is 736954-60-2.
What is the molecular formula of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The molecular formula of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is C18H14ClN3O3.
What is the molecular weight of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The molecular weight of 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is 355.07 g/mol.
Where can I buy 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
You can request a quote for 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.