CTK8J7998
TL;DR: CTK8J7998 (CAS 640280-77-9) is a chemical compound with molecular formula C30H22F3N3O7 and molecular weight 593.14 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-[[(2-carboxybenzoyl)amino]methyl]benzoic acid
Also Known As: 5-{[(2-Carboxybenzoyl)amino]methyl}-2-({2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)benzoic acid, Benzoicacid,5-[[ amino]methyl]-2-[[2-[ amino]-5- phenyl]amino]-, benzoicacid,5-[[amino]methyl]-2-[[2-[amino]-5- phenyl]amino]-
| Molecular Formula | C30H22F3N3O7 |
|---|---|
| Molecular Weight | 593.14 g/mol |
| LogP | 6.2172 |
| Topological Polar Surface Area | 165.06 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 593.141 |
| Heavy Atoms | 43 |
| Complexity | 1738.588 |
Chemical Identifiers
| CAS Number | 640280-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC2=CC(=C(C=C2)NC3=C(C=CC(=C3)C(F)(F)F)NC4=CC=CC=C4C(=O)O)C(=O)O)C(=O)O |
Product Overview
CTK8J7998 (CAS 640280-77-9), with molecular formula C30H22F3N3O7 and molecular weight 593.14 g/mol. IUPAC: 2-[2-(2-carboxyanilino)-5-(trifluoromethyl)anilino]-5-[[(2-carboxybenzoyl)amino]methyl]benzoic acid.
Chemical Property Profile of CTK8J7998
Property Insights of CTK8J7998
The XLogP value of 6.2172 indicates that CTK8J7998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.06 Ų indicates high polarity, suggesting CTK8J7998 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8J7998 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8J7998?
The CAS number of CTK8J7998 is 640280-77-9.
What is the molecular formula of CTK8J7998?
The molecular formula of CTK8J7998 is C30H22F3N3O7.
What is the molecular weight of CTK8J7998?
The molecular weight of CTK8J7998 is 593.14 g/mol.
Where can I buy CTK8J7998?
You can request a quote for CTK8J7998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J7998?
Yes, KEHONG BIO provides custom synthesis services for CTK8J7998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.