N-(2,2-dicyanovinyl)-4-methylbenzamide
TL;DR: N-(2,2-dicyanovinyl)-4-methylbenzamide (CAS 412962-65-3) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dicyanoethenyl)-4-methylbenzamide
Also Known As: DivK1c_004740, N-(2,2-dicyanovinyl)-4-methylbenzamide, N-(2,2-dicyanoethenyl)-4-methylbenzamide, CDS1_003700, BIM-0010975.P001
| Molecular Formula | C12H9N3O |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07455 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 412962-65-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC=C(C#N)C#N |
| InChIKey | YTUQBSLJECBLTN-UHFFFAOYSA-N |
Product Overview
N-(2,2-dicyanovinyl)-4-methylbenzamide (CAS 412962-65-3), with molecular formula C12H9N3O and molecular weight 211.07 g/mol. IUPAC: N-(2,2-dicyanoethenyl)-4-methylbenzamide.
Chemical Property Profile of N-(2,2-dicyanovinyl)-4-methylbenzamide
Property Insights of N-(2,2-dicyanovinyl)-4-methylbenzamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-dicyanovinyl)-4-methylbenzamide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-dicyanovinyl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(2,2-dicyanovinyl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 3 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-dicyanovinyl)-4-methylbenzamide?
The CAS number of N-(2,2-dicyanovinyl)-4-methylbenzamide is 412962-65-3.
What is the molecular formula of N-(2,2-dicyanovinyl)-4-methylbenzamide?
The molecular formula of N-(2,2-dicyanovinyl)-4-methylbenzamide is C12H9N3O.
What is the molecular weight of N-(2,2-dicyanovinyl)-4-methylbenzamide?
The molecular weight of N-(2,2-dicyanovinyl)-4-methylbenzamide is 211.07 g/mol.
Where can I buy N-(2,2-dicyanovinyl)-4-methylbenzamide?
You can request a quote for N-(2,2-dicyanovinyl)-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-dicyanovinyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dicyanovinyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.