EINECS 281-854-3
TL;DR: EINECS 281-854-3 (CAS 84041-75-8) is a chemical compound with molecular formula C28H37Cl2N5O7S2 and molecular weight 689.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[1-[4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium;methyl sulfate
Also Known As: EINECS 281-854-3, [4-[2-[1-[4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium; methyl sulfate, [4-[2-[1-[4-[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenylphenyl]ethylamino]ethoxy]phenyl]-trimethyl-azanium; sulfonatooxymethane
| Molecular Formula | C28H37Cl2N5O7S2 |
|---|---|
| Molecular Weight | 689.15 g/mol |
| LogP | 5.6784 |
| Topological Polar Surface Area | 149.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 689.1511 |
| Heavy Atoms | 44 |
| Complexity | 1628.5205 |
Chemical Identifiers
| CAS Number | 84041-75-8 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N=NC2=CC(=C(C=C2Cl)S(=O)(=O)N(C)C)Cl)NCCOC3=CC=C(C=C3)[N+](C)(C)C.COS(=O)(=O)[O-] |
Product Overview
EINECS 281-854-3 (CAS 84041-75-8), with molecular formula C28H37Cl2N5O7S2 and molecular weight 689.15 g/mol. IUPAC: [4-[2-[1-[4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 281-854-3
Property Insights of EINECS 281-854-3
The XLogP value of 5.6784 indicates that EINECS 281-854-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.79 Ų indicates high polarity, suggesting EINECS 281-854-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 281-854-3 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 281-854-3?
The CAS number of EINECS 281-854-3 is 84041-75-8.
What is the molecular formula of EINECS 281-854-3?
The molecular formula of EINECS 281-854-3 is C28H37Cl2N5O7S2.
What is the molecular weight of EINECS 281-854-3?
The molecular weight of EINECS 281-854-3 is 689.15 g/mol.
Where can I buy EINECS 281-854-3?
You can request a quote for EINECS 281-854-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-854-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-854-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.