EINECS 275-104-4
TL;DR: EINECS 275-104-4 (CAS 71002-16-9) is a chemical compound with molecular formula C35H22Cl2N14Na4O15S4 and molecular weight 1167.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;1-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfonatophenyl]-4-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt, 1-(3-((4-Chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt, 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4), 1-[3-[[4-Chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[2-[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid sodium (1:4), 1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium
| Molecular Formula | C35H22Cl2N14Na4O15S4 |
|---|---|
| Molecular Weight | 1167.92 g/mol |
| LogP | -9.77378 |
| Topological Polar Surface Area | 482.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 12 |
| Exact Mass | 1167.924 |
| Heavy Atoms | 74 |
| Complexity | 2350.0 |
Chemical Identifiers
| CAS Number | 71002-16-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC7=CC=C(C=C7)S(=O)(=O)O)Cl.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | WEEZPKPTHXXCDK-UHFFFAOYSA-J |
Product Overview
EINECS 275-104-4 (CAS 71002-16-9), with molecular formula C35H22Cl2N14Na4O15S4 and molecular weight 1167.92 g/mol. IUPAC: tetrasodium;1-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfonatophenyl]-4-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate.
Chemical Property Profile of EINECS 275-104-4
Property Insights of EINECS 275-104-4
The XLogP value of -9.77378 indicates that EINECS 275-104-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 482.0 Ų indicates high polarity, suggesting EINECS 275-104-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 275-104-4 has 5 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 275-104-4?
The CAS number of EINECS 275-104-4 is 71002-16-9.
What is the molecular formula of EINECS 275-104-4?
The molecular formula of EINECS 275-104-4 is C35H22Cl2N14Na4O15S4.
What is the molecular weight of EINECS 275-104-4?
The molecular weight of EINECS 275-104-4 is 1167.92 g/mol.
Where can I buy EINECS 275-104-4?
You can request a quote for EINECS 275-104-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 275-104-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 275-104-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.