CTK9A1000
TL;DR: CTK9A1000 (CAS 687635-37-6) is a chemical compound with molecular formula C22H18F3N3O4 and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aminomethyl)-2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]benzoic acid
Also Known As: 5-(Aminomethyl)-2-({2-[(2-carboxyphenyl)amino]-4-(trifluoromethyl)phenyl}amino)benzoic acid, 5-(aminomethyl)-2-[[2-[(2-carboxyphenyl)amino]-4-(trifluoromethyl)phenyl]amino]benzoic Acid
| Molecular Formula | C22H18F3N3O4 |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 5.0477 |
| Topological Polar Surface Area | 124.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.12494 |
| Heavy Atoms | 32 |
| Complexity | 1179.3229 |
Chemical Identifiers
| CAS Number | 687635-37-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC(=C2)C(F)(F)F)NC3=C(C=C(C=C3)CN)C(=O)O |
Product Overview
CTK9A1000 (CAS 687635-37-6), with molecular formula C22H18F3N3O4 and molecular weight 445.12 g/mol. IUPAC: 5-(aminomethyl)-2-[2-(2-carboxyanilino)-4-(trifluoromethyl)anilino]benzoic acid.
Chemical Property Profile of CTK9A1000
Property Insights of CTK9A1000
The XLogP value of 5.0477 indicates that CTK9A1000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK9A1000. Following Lipinski's Rule of Five, CTK9A1000 has 5 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 CTK9A1000?
The CAS number of CTK9A1000 is 687635-37-6.
What is the molecular formula of CTK9A1000?
The molecular formula of CTK9A1000 is C22H18F3N3O4.
What is the molecular weight of CTK9A1000?
The molecular weight of CTK9A1000 is 445.12 g/mol.
Where can I buy CTK9A1000?
You can request a quote for CTK9A1000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A1000?
Yes, KEHONG BIO provides custom synthesis services for CTK9A1000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.