2-(1,2,2-Tricyanoethenylamino)benzamide
TL;DR: 2-(1,2,2-Tricyanoethenylamino)benzamide (CAS 959583-36-9) is a chemical compound with molecular formula C12H7N5O and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,2-tricyanoethenylamino)benzamide
Also Known As: 2-((1,2,2-trinitrilovinyl)amino)benzamide, 2-(1,2,2-tricyanoethenylamino)benzamide, 2-[(1,2,2-tricyanoeth-1-en-1-yl)amino]benzamide, 2-(1,2,2-tricyanovinylamino)benzamide, 2-[(1,2,2-trinitrilovinyl)amino]benzamide
| Molecular Formula | C12H7N5O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.02224 |
| Topological Polar Surface Area | 126.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06506 |
| Heavy Atoms | 18 |
| Complexity | 623.6572 |
Chemical Identifiers
| CAS Number | 959583-36-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)NC(=C(C#N)C#N)C#N |
Product Overview
2-(1,2,2-Tricyanoethenylamino)benzamide (CAS 959583-36-9), with molecular formula C12H7N5O and molecular weight 237.07 g/mol. IUPAC: 2-(1,2,2-tricyanoethenylamino)benzamide.
Chemical Property Profile of 2-(1,2,2-Tricyanoethenylamino)benzamide
Property Insights of 2-(1,2,2-Tricyanoethenylamino)benzamide
The XLogP value of 1.02224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2,2-Tricyanoethenylamino)benzamide. The TPSA of 126.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2,2-Tricyanoethenylamino)benzamide. Following Lipinski's Rule of Five, 2-(1,2,2-Tricyanoethenylamino)benzamide has 2 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 2-(1,2,2-Tricyanoethenylamino)benzamide?
The CAS number of 2-(1,2,2-Tricyanoethenylamino)benzamide is 959583-36-9.
What is the molecular formula of 2-(1,2,2-Tricyanoethenylamino)benzamide?
The molecular formula of 2-(1,2,2-Tricyanoethenylamino)benzamide is C12H7N5O.
What is the molecular weight of 2-(1,2,2-Tricyanoethenylamino)benzamide?
The molecular weight of 2-(1,2,2-Tricyanoethenylamino)benzamide is 237.07 g/mol.
Where can I buy 2-(1,2,2-Tricyanoethenylamino)benzamide?
You can request a quote for 2-(1,2,2-Tricyanoethenylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2,2-Tricyanoethenylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2,2-Tricyanoethenylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.