EINECS 287-594-7
TL;DR: EINECS 287-594-7 (CAS 85554-62-7) is a chemical compound with molecular formula C27H25Cl3KN7Na2O14S5 and molecular weight 1020.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;disodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: Benzene,[(chlorodifluoromethyl)thio], 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?), 2,7-Naphthalenedisulfonic acid, 5-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[4-[bis[2-[(2-chloroethyl) sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2 -yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt
| Molecular Formula | C27H25Cl3KN7Na2O14S5 |
|---|---|
| Molecular Weight | 1020.86 g/mol |
| LogP | -6.6193 |
| Topological Polar Surface Area | 381.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 15 |
| Exact Mass | 1020.8561 |
| Heavy Atoms | 59 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 85554-62-7 |
|---|---|
| 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)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)O)S(=O)(=O)[O-].[Na+].[Na+].[K+] |
| InChIKey | PRYHJKHDSPVAIJ-UHFFFAOYSA-K |
Product Overview
EINECS 287-594-7 (CAS 85554-62-7), with molecular formula C27H25Cl3KN7Na2O14S5 and molecular weight 1020.86 g/mol. IUPAC: potassium;disodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 287-594-7
Property Insights of EINECS 287-594-7
The XLogP value of -6.6193 indicates that EINECS 287-594-7 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 381.0 Ų indicates high polarity, suggesting EINECS 287-594-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-594-7 has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-594-7?
The CAS number of EINECS 287-594-7 is 85554-62-7.
What is the molecular formula of EINECS 287-594-7?
The molecular formula of EINECS 287-594-7 is C27H25Cl3KN7Na2O14S5.
What is the molecular weight of EINECS 287-594-7?
The molecular weight of EINECS 287-594-7 is 1020.86 g/mol.
Where can I buy EINECS 287-594-7?
You can request a quote for EINECS 287-594-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-594-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-594-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.