Einecs 259-806-8
TL;DR: Einecs 259-806-8 (CAS 55772-05-9) is a chemical compound with molecular formula C37H30Cl2N8O10S3 and molecular weight 912.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfoanilino]-7-[ethyl-[(3-sulfophenyl)methyl]amino]phenazin-5-ium-5-yl]-2-methoxybenzenesulfonate
Also Known As: EINECS 259-806-8, Dihydrogen 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-methoxy-3-sulphonatophenyl)phenazinium, Phenazinium, 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, 3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}amino)-7-{ethyl[(3-sulfophenyl)methyl]amino}-5-(4-methoxy-3-sulfonatophenyl)-5lambda5-phenazin-5-ylium, 3-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfonatophenyl)phenazin-5-ium
| Molecular Formula | C37H30Cl2N8O10S3 |
|---|---|
| Molecular Weight | 912.06 g/mol |
| LogP | 6.0763 |
| Topological Polar Surface Area | 257.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 912.0624 |
| Heavy Atoms | 60 |
| Complexity | 3179.1748 |
Chemical Identifiers
| CAS Number | 55772-05-9 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)O)N=C3C=C2)C7=CC(=C(C=C7)OC)S(=O)(=O)[O-] |
Product Overview
Einecs 259-806-8 (CAS 55772-05-9), with molecular formula C37H30Cl2N8O10S3 and molecular weight 912.06 g/mol. IUPAC: 5-[3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfoanilino]-7-[ethyl-[(3-sulfophenyl)methyl]amino]phenazin-5-ium-5-yl]-2-methoxybenzenesulfonate.
Chemical Property Profile of Einecs 259-806-8
Property Insights of Einecs 259-806-8
The XLogP value of 6.0763 indicates that Einecs 259-806-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 257.91 Ų indicates high polarity, suggesting Einecs 259-806-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 259-806-8 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 259-806-8?
The CAS number of Einecs 259-806-8 is 55772-05-9.
What is the molecular formula of Einecs 259-806-8?
The molecular formula of Einecs 259-806-8 is C37H30Cl2N8O10S3.
What is the molecular weight of Einecs 259-806-8?
The molecular weight of Einecs 259-806-8 is 912.06 g/mol.
Where can I buy Einecs 259-806-8?
You can request a quote for Einecs 259-806-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 259-806-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 259-806-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.