CTK9A4902
TL;DR: CTK9A4902 (CAS 785046-93-7) is a chemical compound with molecular formula C30H26F3N3O5 and molecular weight 565.18 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-[[(4-methoxyphenyl)methylamino]methyl]benzoic acid
Also Known As: 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-{[(4-methoxybenzyl)amino]methyl}benzoic acid, Benzoicacid,2-[[2-[ amino]-5- phenyl]amino]-5-[[[ methyl]amino]methyl]-
| Molecular Formula | C30H26F3N3O5 |
|---|---|
| Molecular Weight | 565.18 g/mol |
| LogP | 6.8874 |
| Topological Polar Surface Area | 119.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 565.18243 |
| Heavy Atoms | 41 |
| Complexity | 1556.2496 |
Chemical Identifiers
| CAS Number | 785046-93-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNCC2=CC(=C(C=C2)NC3=C(C=CC(=C3)C(F)(F)F)NC4=CC=CC=C4C(=O)O)C(=O)O |
Product Overview
CTK9A4902 (CAS 785046-93-7), with molecular formula C30H26F3N3O5 and molecular weight 565.18 g/mol. IUPAC: 2-[2-(2-carboxyanilino)-5-(trifluoromethyl)anilino]-5-[[(4-methoxyphenyl)methylamino]methyl]benzoic acid.
Chemical Property Profile of CTK9A4902
Property Insights of CTK9A4902
The XLogP value of 6.8874 indicates that CTK9A4902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK9A4902. Following Lipinski's Rule of Five, CTK9A4902 has 5 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 CTK9A4902?
The CAS number of CTK9A4902 is 785046-93-7.
What is the molecular formula of CTK9A4902?
The molecular formula of CTK9A4902 is C30H26F3N3O5.
What is the molecular weight of CTK9A4902?
The molecular weight of CTK9A4902 is 565.18 g/mol.
Where can I buy CTK9A4902?
You can request a quote for CTK9A4902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A4902?
Yes, KEHONG BIO provides custom synthesis services for CTK9A4902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.