EINECS 287-727-9
TL;DR: EINECS 287-727-9 (CAS 85567-15-3) is a chemical compound with molecular formula C31H26Cl3N7Na4O17S6 and molecular weight 1156.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 2-((8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, sodium salt, 1,5-Naphthalenedisulfonic acid, 2-((8-((2-chloro-6-(N,N-di(((2-chloroethyl)sulfonyl)ethyl)amino)-1,3,5-triaz-4-yl)amino)-1-hydroxy-3,6-disulfonaphth-2-yl)azo)-, sodium salt, 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?), 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, sodium salt, 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[bis[2-[(2-chloroethyl) sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin -2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthaleny l]azo]-, sodium salt
| Molecular Formula | C31H26Cl3N7Na4O17S6 |
|---|---|
| Molecular Weight | 1156.84 g/mol |
| LogP | -9.558 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 15 |
| Exact Mass | 1156.8365 |
| Heavy Atoms | 68 |
| Complexity | 2230.0 |
Chemical Identifiers
| CAS Number | 85567-15-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)O)C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | PTMWSJHXOFORRM-UHFFFAOYSA-J |
Product Overview
EINECS 287-727-9 (CAS 85567-15-3), with molecular formula C31H26Cl3N7Na4O17S6 and molecular weight 1156.84 g/mol. IUPAC: tetrasodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 287-727-9
Property Insights of EINECS 287-727-9
The XLogP value of -9.558 indicates that EINECS 287-727-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting EINECS 287-727-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-727-9 has 2 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 287-727-9?
The CAS number of EINECS 287-727-9 is 85567-15-3.
What is the molecular formula of EINECS 287-727-9?
The molecular formula of EINECS 287-727-9 is C31H26Cl3N7Na4O17S6.
What is the molecular weight of EINECS 287-727-9?
The molecular weight of EINECS 287-727-9 is 1156.84 g/mol.
Where can I buy EINECS 287-727-9?
You can request a quote for EINECS 287-727-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-727-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-727-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.