![4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid structure](/static/products/7490/74900-56-4.webp)
4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid
TL;DR: 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid (CAS 74900-56-4) is a chemical compound with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-1,2-dicyanoethenyl)iminomethyl]benzoic acid
Also Known As: 4-{[(2-amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid, 4-[(2-amino-1,2-dicyanoethenyl)iminomethyl]benzoic acid, 4-[(2-amino-1,2-dicyano-ethenyl)iminomethyl]benzoic Acid, 4-[[(2-Amino-1,2-dicyanoethenyl)imino]methyl]benzoic acid, 4-({[(Z)-2-amino-1,2-dicyanoethenyl]imino}methyl)benzenecarboxylic acid
| Molecular Formula | C12H8N4O2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.02116 |
| Topological Polar Surface Area | 123.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.06473 |
| Heavy Atoms | 18 |
| Complexity | 600.44995 |
Chemical Identifiers
| CAS Number | 74900-56-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC(=C(C#N)N)C#N)C(=O)O |
Product Overview
4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid (CAS 74900-56-4), with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol. IUPAC: 4-[(2-amino-1,2-dicyanoethenyl)iminomethyl]benzoic acid.
Chemical Property Profile of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid
Property Insights of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid
The XLogP value of 1.02116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid. The TPSA of 123.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid 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 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid?
The CAS number of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid is 74900-56-4.
What is the molecular formula of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid?
The molecular formula of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid is C12H8N4O2.
What is the molecular weight of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid?
The molecular weight of 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid is 240.06 g/mol.
Where can I buy 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid?
You can request a quote for 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2-Amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.