EINECS 268-516-0
TL;DR: EINECS 268-516-0 (CAS 68110-27-0) is a chemical compound with molecular formula C27H21Cl2N14Na3O12S3 and molecular weight 967.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-6-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)hydrazinyl]benzene-1,3-disulfonate
Also Known As: EINECS 268-516-0, 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt, 1,3-Benzenedisulfonic acid, 4-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-6-((4-((3-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, trisodium salt, 1,3-Benzenedisulfonic acid, 4-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-6-((4-((3-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3), 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3
| Molecular Formula | C27H21Cl2N14Na3O12S3 |
|---|---|
| Molecular Weight | 967.97 g/mol |
| LogP | -9.1409 |
| Topological Polar Surface Area | 415.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 967.96954 |
| Heavy Atoms | 61 |
| Complexity | 2840.6821 |
Chemical Identifiers
| CAS Number | 68110-27-0 |
|---|---|
| SMILES | CCN1C(=O)C(=C(/C(=N/NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)N)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])/C1=O)C)C(=O)N.[Na+].[Na+].[Na+] |
Product Overview
EINECS 268-516-0 (CAS 68110-27-0), with molecular formula C27H21Cl2N14Na3O12S3 and molecular weight 967.97 g/mol. IUPAC: trisodium;4-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-6-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)hydrazinyl]benzene-1,3-disulfonate.
Chemical Property Profile of EINECS 268-516-0
Property Insights of EINECS 268-516-0
The XLogP value of -9.1409 indicates that EINECS 268-516-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 415.91 Ų indicates high polarity, suggesting EINECS 268-516-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-516-0 has 6 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-516-0?
The CAS number of EINECS 268-516-0 is 68110-27-0.
What is the molecular formula of EINECS 268-516-0?
The molecular formula of EINECS 268-516-0 is C27H21Cl2N14Na3O12S3.
What is the molecular weight of EINECS 268-516-0?
The molecular weight of EINECS 268-516-0 is 967.97 g/mol.
Where can I buy EINECS 268-516-0?
You can request a quote for EINECS 268-516-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-516-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-516-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.