3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid
TL;DR: 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid (CAS 81241-67-0) is a chemical compound with molecular formula C37H31N3O11S3 and molecular weight 789.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,4-bis(2-methylphenoxy)phenyl]diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid
Also Known As: 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid, (3E)-3-[[2,4-bis(2-methylphenoxy)phenyl]hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonic acid, (3Z)-3-[[2,4-bis(2-methylphenoxy)phenyl]hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonic acid, 3-[[2,4-Bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid, 3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid
| Molecular Formula | C37H31N3O11S3 |
|---|---|
| Molecular Weight | 789.11 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 789.11206 |
| Heavy Atoms | 54 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 81241-67-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=C(C=C4)OC5=CC=CC=C5C)OC6=CC=CC=C6C)S(=O)(=O)O |
| InChIKey | NVMGCGBELVIYMJ-UHFFFAOYSA-N |
Product Overview
3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid (CAS 81241-67-0), with molecular formula C37H31N3O11S3 and molecular weight 789.11 g/mol. IUPAC: 3-[[2,4-bis(2-methylphenoxy)phenyl]diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid
Property Insights of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid
The XLogP value of 7.3 indicates that 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid?
The CAS number of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid is 81241-67-0.
What is the molecular formula of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid?
The molecular formula of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid is C37H31N3O11S3.
What is the molecular weight of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid?
The molecular weight of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid is 789.11 g/mol.
Where can I buy 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid?
You can request a quote for 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.