RefChem:73539
TL;DR: RefChem:73539 (CAS 90359-02-7) is a chemical compound with molecular formula C30H21FN9Na3O10S3 and molecular weight 851.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 3-(4-((5-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, trisodium salt, 1,5-Naphthalenedisulfonic acid, 3-(4-(2-(5-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:3), 1,5-Naphthalenedisulfonic acid, 3-[4-[[5-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, trisodium salt, 1,5-Naphthalenedisulfonic acid, 3-[4-[2-[5-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:3), trisodium 3-(4-{(e)-[5-({4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)naphthalene-1,5-disulfonate
| Molecular Formula | C30H21FN9Na3O10S3 |
|---|---|
| Molecular Weight | 851.03 g/mol |
| LogP | -5.44118 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 851.0251 |
| Heavy Atoms | 56 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 90359-02-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4C(=NN(C4=O)C5=CC6=C(C=CC=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-])C)F.[Na+].[Na+].[Na+] |
| InChIKey | ZRTOSNXWFXLLCA-UHFFFAOYSA-K |
Product Overview
RefChem:73539 (CAS 90359-02-7), with molecular formula C30H21FN9Na3O10S3 and molecular weight 851.03 g/mol. IUPAC: trisodium;3-[4-[[5-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:73539
Property Insights of RefChem:73539
The XLogP value of -5.44118 indicates that RefChem:73539 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting RefChem:73539 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:73539 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:73539?
The CAS number of RefChem:73539 is 90359-02-7.
What is the molecular formula of RefChem:73539?
The molecular formula of RefChem:73539 is C30H21FN9Na3O10S3.
What is the molecular weight of RefChem:73539?
The molecular weight of RefChem:73539 is 851.03 g/mol.
Where can I buy RefChem:73539?
You can request a quote for RefChem:73539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:73539?
Yes, KEHONG BIO provides custom synthesis services for RefChem:73539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.