1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
TL;DR: 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt (CAS 69121-15-9) is a chemical compound with molecular formula C21H11ClF2N5Na3O10S3 and molecular weight 730.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,3-disulfonate
Also Known As: 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt, 1,3-Benzenedisulfonic acid, 4-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3), 1,3-Benzenedisulfonic acid, 4-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methyl-, trisodium salt, 1,3-Benzenedisulfonic acid, 4-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3), trisodium2-[[6-[ amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-3,5-disulphonate
| Molecular Formula | C21H11ClF2N5Na3O10S3 |
|---|---|
| Molecular Weight | 730.90 g/mol |
| LogP | -5.54128 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 730.9018 |
| Heavy Atoms | 45 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 69121-15-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | IUUGODBEMSMQCX-UHFFFAOYSA-K |
Product Overview
1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt (CAS 69121-15-9), with molecular formula C21H11ClF2N5Na3O10S3 and molecular weight 730.90 g/mol. IUPAC: trisodium;4-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,3-disulfonate.
Chemical Property Profile of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
Property Insights of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt
The XLogP value of -5.54128 indicates that 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, 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 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The CAS number of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is 69121-15-9.
What is the molecular formula of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The molecular formula of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is C21H11ClF2N5Na3O10S3.
What is the molecular weight of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
The molecular weight of 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt is 730.90 g/mol.
Where can I buy 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
You can request a quote for 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.