1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt
TL;DR: 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt (CAS 75198-87-7) is a chemical compound with molecular formula C21H12ClFN5Na3O10S3 and molecular weight 712.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt, 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3), 4-((5-Chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-1,7-naphthalenedisulfonic acid, trisodium salt, 1,7-Naphthalenedisulfonic acid, 4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-, trisodium salt, 1,7-Naphthalenedisulfonic acid, 4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)
| Molecular Formula | C21H12ClFN5Na3O10S3 |
|---|---|
| Molecular Weight | 712.91 g/mol |
| LogP | -5.68038 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 712.9112 |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 75198-87-7 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)F)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | SFQVBXRWGVIEKL-UHFFFAOYSA-K |
Product Overview
1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt (CAS 75198-87-7), with molecular formula C21H12ClFN5Na3O10S3 and molecular weight 712.91 g/mol. IUPAC: trisodium;4-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate.
Chemical Property Profile of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt
Property Insights of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt
The XLogP value of -5.68038 indicates that 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt?
The CAS number of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt is 75198-87-7.
What is the molecular formula of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt?
The molecular formula of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt is C21H12ClFN5Na3O10S3.
What is the molecular weight of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt?
The molecular weight of 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt is 712.91 g/mol.
Where can I buy 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt?
You can request a quote for 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.