![2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid structure](/static/products/1021/10213-95-3.webp)
2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid
TL;DR: 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid (CAS 10213-95-3) is a chemical compound with molecular formula C34H26N2O6S and molecular weight 590.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid
Also Known As: Violamine R, Acid Violet 9 parent, 2-[3-(2-methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid, Benzoic acid, o-[3-[(4-sulfo-o-tolyl)imino]-6-o-toluidino-3H-xanthen-9-yl]-, 2-[6-[(2-Methylphenyl)amino]-3-[(2-methyl-4-sulfophenyl)imino]-3H-xanthen-9-yl]benzoic acid
| Molecular Formula | C34H26N2O6S |
|---|---|
| Molecular Weight | 590.15 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 590.1512 |
| Heavy Atoms | 43 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 10213-95-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=C(C=C(C=C5)S(=O)(=O)O)C)C=C4O3)C6=CC=CC=C6C(=O)O |
| InChIKey | XRRSHJUXSQSJHZ-UHFFFAOYSA-N |
Product Overview
2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid (CAS 10213-95-3), with molecular formula C34H26N2O6S and molecular weight 590.15 g/mol. IUPAC: 2-[3-(2-methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid.
Chemical Property Profile of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid
Property Insights of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid
The XLogP value of 5.7 indicates that 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid. Following Lipinski's Rule of Five, 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid?
The CAS number of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid is 10213-95-3.
What is the molecular formula of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid?
The molecular formula of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid is C34H26N2O6S.
What is the molecular weight of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid?
The molecular weight of 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid is 590.15 g/mol.
Where can I buy 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid?
You can request a quote for 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(2-Methylanilino)-6-(2-methyl-4-sulfophenyl)iminoxanthen-9-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.