EINECS 274-931-8
TL;DR: EINECS 274-931-8 (CAS 70851-44-4) is a chemical compound with molecular formula C43H46ClN12O13PS3 and molecular weight 1100.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triazanium;5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate
Also Known As: Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, inner salt, triammonium salt, N-(7-((4-((6-Chloro-4-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-3,5-dihydro-5-(4-methoxy-3-sulfophenyl)-3-phenazinylidene)-N-((3-sulfophenyl)methyl)ethanaminium hydroxide, inner salt, triammonium salt, Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, inner salt, ammonium salt (1:3), Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, triammonium salt, Phenazinium, 3-((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt, triammonium salt
| Molecular Formula | C43H46ClN12O13PS3 |
|---|---|
| Molecular Weight | 1100.19 g/mol |
| LogP | 5.7809 |
| Topological Polar Surface Area | 364.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Exact Mass | 1100.1896 |
| Heavy Atoms | 73 |
| Complexity | 2100.0 |
Chemical Identifiers
| CAS Number | 70851-44-4 |
|---|---|
| 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)NC7=CC(=CC=C7)P(=O)(O)[O-])Cl)S(=O)(=O)[O-])N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+] |
| InChIKey | OQYJPNXEZSOWNS-UHFFFAOYSA-N |
Product Overview
EINECS 274-931-8 (CAS 70851-44-4), with molecular formula C43H46ClN12O13PS3 and molecular weight 1100.19 g/mol. IUPAC: triazanium;5-[[4-chloro-6-[3-[hydroxy(oxido)phosphoryl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfonatophenyl)methyl]amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonate.
Chemical Property Profile of EINECS 274-931-8
Property Insights of EINECS 274-931-8
The XLogP value of 5.7809 indicates that EINECS 274-931-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 364.0 Ų indicates high polarity, suggesting EINECS 274-931-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-931-8 has 7 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 274-931-8?
The CAS number of EINECS 274-931-8 is 70851-44-4.
What is the molecular formula of EINECS 274-931-8?
The molecular formula of EINECS 274-931-8 is C43H46ClN12O13PS3.
What is the molecular weight of EINECS 274-931-8?
The molecular weight of EINECS 274-931-8 is 1100.19 g/mol.
Where can I buy EINECS 274-931-8?
You can request a quote for EINECS 274-931-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-931-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-931-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.