N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide
TL;DR: N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide (CAS 61767-26-8) is a chemical compound with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide
Also Known As: N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide, BAS 00084174, 3,3-Dichloro-2-(p-toluoylamino)acrylonitrile, Benzamide, N-(2,2-dichloro-1-cyanoethenyl)-4-methyl-, 4-methylbenzoylamino-3,3-di-chloroacrylonitrile
| Molecular Formula | C11H8Cl2N2O |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.8951 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.00137 |
| Heavy Atoms | 16 |
| Complexity | 467.75308 |
Chemical Identifiers
| CAS Number | 61767-26-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C#N |
Product Overview
N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide (CAS 61767-26-8), with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol. IUPAC: N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide.
Chemical Property Profile of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide
Property Insights of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide
The XLogP value of 2.8951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide 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 N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide?
The CAS number of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide is 61767-26-8.
What is the molecular formula of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide?
The molecular formula of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide is C11H8Cl2N2O.
What is the molecular weight of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide?
The molecular weight of N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide is 254.00 g/mol.
Where can I buy N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide?
You can request a quote for N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.