CTK8J7993
TL;DR: CTK8J7993 (CAS 640280-34-8) is a chemical compound with molecular formula C22H14F3N3O4 and molecular weight 441.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]-5-cyanobenzoic acid
Also Known As: 2-({2-[(2-Carboxyphenyl)amino]-4-(trifluoromethyl)phenyl}amino)-5-cyanobenzoic acid, 2-[[2-[(2-carboxyphenyl)amino]-4-(trifluoromethyl)phenyl]amino]-5-cyano-benzoic Acid
| Molecular Formula | C22H14F3N3O4 |
|---|---|
| Molecular Weight | 441.09 g/mol |
| LogP | 5.46068 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.09363 |
| Heavy Atoms | 32 |
| Complexity | 1249.8989 |
Chemical Identifiers
| CAS Number | 640280-34-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC(=C2)C(F)(F)F)NC3=C(C=C(C=C3)C#N)C(=O)O |
Product Overview
CTK8J7993 (CAS 640280-34-8), with molecular formula C22H14F3N3O4 and molecular weight 441.09 g/mol. IUPAC: 2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]-5-cyanobenzoic acid.
Chemical Property Profile of CTK8J7993
Property Insights of CTK8J7993
The XLogP value of 5.46068 indicates that CTK8J7993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8J7993. Following Lipinski's Rule of Five, CTK8J7993 has 4 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 CTK8J7993?
The CAS number of CTK8J7993 is 640280-34-8.
What is the molecular formula of CTK8J7993?
The molecular formula of CTK8J7993 is C22H14F3N3O4.
What is the molecular weight of CTK8J7993?
The molecular weight of CTK8J7993 is 441.09 g/mol.
Where can I buy CTK8J7993?
You can request a quote for CTK8J7993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J7993?
Yes, KEHONG BIO provides custom synthesis services for CTK8J7993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.