CTK5F5334
TL;DR: CTK5F5334 (CAS 85610-13-5) is a chemical compound with molecular formula C38H34N2O3 and molecular weight 566.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-ethyl-6-methylanilino)-6-(2-ethyl-6-methylphenyl)iminoxanthen-9-yl]benzoic acid
Also Known As: 2-{(3e)-6-[(2-ethyl-6-methylphenyl)amino]-3-[(2-ethyl-6-methylphenyl)imino]-3h-xanthen-9-yl}benzoic acid, 2-[3-(2-ethyl-6-methylanilino)-6-(2-ethyl-6-methylphenyl)iminoxanthen-9-yl]benzoic acid, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis((2-ethyl-6-methylphenyl)amino)-, inner salt
| Molecular Formula | C38H34N2O3 |
|---|---|
| Molecular Weight | 566.26 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.25696 |
| Heavy Atoms | 43 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 85610-13-5 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C=CC=C5CC)C)C=C4O3)C6=CC=CC=C6C(=O)O)C |
| InChIKey | YBBXZNAJPMWQOA-UHFFFAOYSA-N |
Product Overview
CTK5F5334 (CAS 85610-13-5), with molecular formula C38H34N2O3 and molecular weight 566.26 g/mol. IUPAC: 2-[3-(2-ethyl-6-methylanilino)-6-(2-ethyl-6-methylphenyl)iminoxanthen-9-yl]benzoic acid.
Chemical Property Profile of CTK5F5334
Property Insights of CTK5F5334
The XLogP value of 8.5 indicates that CTK5F5334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5F5334. Following Lipinski's Rule of Five, CTK5F5334 has 2 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 CTK5F5334?
The CAS number of CTK5F5334 is 85610-13-5.
What is the molecular formula of CTK5F5334?
The molecular formula of CTK5F5334 is C38H34N2O3.
What is the molecular weight of CTK5F5334?
The molecular weight of CTK5F5334 is 566.26 g/mol.
Where can I buy CTK5F5334?
You can request a quote for CTK5F5334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F5334?
Yes, KEHONG BIO provides custom synthesis services for CTK5F5334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.