![2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid structure](/static/products/640/640280-17-7.png)
2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid
TL;DR: 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid (CAS 640280-17-7) is a chemical compound with molecular formula C23H20F3N5O4 and molecular weight 487.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxyanilino)-5-(trifluoromethyl)anilino]-5-[(diaminomethylideneamino)methyl]benzoic acid
Also Known As: 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid, 5-({[amino(imino)methyl]amino}methyl)-2-{[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino }benzoic acid
| Molecular Formula | C23H20F3N5O4 |
|---|---|
| Molecular Weight | 487.15 g/mol |
| LogP | 4.3624 |
| Topological Polar Surface Area | 163.06 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.14673 |
| Heavy Atoms | 35 |
| Complexity | 1304.5546 |
Chemical Identifiers
| CAS Number | 640280-17-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)C(F)(F)F)NC3=C(C=C(C=C3)CN=C(N)N)C(=O)O |
Product Overview
2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid (CAS 640280-17-7), with molecular formula C23H20F3N5O4 and molecular weight 487.15 g/mol. IUPAC: 2-[2-(2-carboxyanilino)-5-(trifluoromethyl)anilino]-5-[(diaminomethylideneamino)methyl]benzoic acid.
Chemical Property Profile of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid
Property Insights of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid
The XLogP value of 4.3624 indicates that 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.06 Ų indicates high polarity, suggesting 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid?
The CAS number of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid is 640280-17-7.
What is the molecular formula of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid?
The molecular formula of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid is C23H20F3N5O4.
What is the molecular weight of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid?
The molecular weight of 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid is 487.15 g/mol.
Where can I buy 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid?
You can request a quote for 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]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 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(diaminomethylene)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.