EINECS 256-014-4
TL;DR: EINECS 256-014-4 (CAS 42950-36-7) is a chemical compound with molecular formula C36H28Cl2N8O9S3 and molecular weight 882.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[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]benzenesulfonate
Also Known As: EINECS 256-014-4, Dihydrogen 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, 3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}amino)-7-{ethyl[(3-sulfophenyl)methyl]amino}-5-(4-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-sulfonatophenyl)phenazin-5-ium, 4-(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)benzene-1-sulfonate
| Molecular Formula | C36H28Cl2N8O9S3 |
|---|---|
| Molecular Weight | 882.05 g/mol |
| LogP | 6.0677 |
| Topological Polar Surface Area | 248.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 882.0518 |
| Heavy Atoms | 58 |
| Complexity | 3087.0142 |
Chemical Identifiers
| CAS Number | 42950-36-7 |
|---|---|
| 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)S(=O)(=O)[O-] |
Product Overview
EINECS 256-014-4 (CAS 42950-36-7), with molecular formula C36H28Cl2N8O9S3 and molecular weight 882.05 g/mol. IUPAC: 4-[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]benzenesulfonate.
Chemical Property Profile of EINECS 256-014-4
Property Insights of EINECS 256-014-4
The XLogP value of 6.0677 indicates that EINECS 256-014-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.68 Ų indicates high polarity, suggesting EINECS 256-014-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 256-014-4 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 256-014-4?
The CAS number of EINECS 256-014-4 is 42950-36-7.
What is the molecular formula of EINECS 256-014-4?
The molecular formula of EINECS 256-014-4 is C36H28Cl2N8O9S3.
What is the molecular weight of EINECS 256-014-4?
The molecular weight of EINECS 256-014-4 is 882.05 g/mol.
Where can I buy EINECS 256-014-4?
You can request a quote for EINECS 256-014-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 256-014-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 256-014-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.