9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium
TL;DR: 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium (CAS 6359-25-7) is a chemical compound with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)iminoxanthen-9-yl]benzoic acid
Also Known As: 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium, 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)iminoxanthen-9-yl]benzoic acid, 9-(2-Carboxylatophenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthylium, Benzoic acid, o-[6-(2,6-xylidino)-3-(2,6-xylylimino)-3H-xanthen-9-yl]-, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis((2,6-dimethylphenyl)amino)-, hydroxide, inner salt
| Molecular Formula | C36H30N2O3 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.22565 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 6359-25-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C=CC=C5C)C)C=C4O3)C6=CC=CC=C6C(=O)O |
| InChIKey | MEFAKFMSRCXGME-UHFFFAOYSA-N |
Product Overview
9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium (CAS 6359-25-7), with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol. IUPAC: 2-[3-(2,6-dimethylanilino)-6-(2,6-dimethylphenyl)iminoxanthen-9-yl]benzoic acid.
Chemical Property Profile of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium
Property Insights of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium
The XLogP value of 7.6 indicates that 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium 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 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium. Following Lipinski's Rule of Five, 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium 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 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium?
The CAS number of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium is 6359-25-7.
What is the molecular formula of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium?
The molecular formula of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium is C36H30N2O3.
What is the molecular weight of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium?
The molecular weight of 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium is 538.23 g/mol.
Where can I buy 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium?
You can request a quote for 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Carboxylatophenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.