EINECS 278-617-1
TL;DR: EINECS 278-617-1 (CAS 77093-20-0) is a chemical compound with molecular formula C26H18ClN7O15S4 and molecular weight 830.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid
Also Known As: 2-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((2-sulphophenyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphobenzoic acid, 2-[[4-chloro-6-[[(7Z)-8-oxo-3,6-disulfo-7-[(2-sulfophenyl)hydrazinylidene]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid, 2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid, 2-[[4-Chloro-6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid, 2-((4-Chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulfobenzoic acid
| Molecular Formula | C26H18ClN7O15S4 |
|---|---|
| Molecular Weight | 830.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 396.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 830.94324 |
| Heavy Atoms | 53 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 77093-20-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)O)C(=O)O)Cl)O)S(=O)(=O)O |
| InChIKey | NYBKROPZNMIFME-UHFFFAOYSA-N |
Product Overview
EINECS 278-617-1 (CAS 77093-20-0), with molecular formula C26H18ClN7O15S4 and molecular weight 830.94 g/mol. IUPAC: 2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid.
Chemical Property Profile of EINECS 278-617-1
Property Insights of EINECS 278-617-1
The XLogP value of 3.0 indicates that EINECS 278-617-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 396.0 Ų indicates high polarity, suggesting EINECS 278-617-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 278-617-1 has 8 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 278-617-1?
The CAS number of EINECS 278-617-1 is 77093-20-0.
What is the molecular formula of EINECS 278-617-1?
The molecular formula of EINECS 278-617-1 is C26H18ClN7O15S4.
What is the molecular weight of EINECS 278-617-1?
The molecular weight of EINECS 278-617-1 is 830.94 g/mol.
Where can I buy EINECS 278-617-1?
You can request a quote for EINECS 278-617-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 278-617-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 278-617-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.