EINECS 281-852-2
TL;DR: EINECS 281-852-2 (CAS 84041-72-5) is a chemical compound with molecular formula C26H32ClN5O7S and molecular weight 593.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[1-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium;methyl sulfate
Also Known As: EINECS 281-852-2, [4-[2-[1-[4-(2-chloro-4-nitro-phenyl)diazenylphenyl]ethylamino]ethoxy]phenyl]-trimethyl-azanium; sulfonatooxymethane, [4-[2-[1-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium; methyl sulfate
| Molecular Formula | C26H32ClN5O7S |
|---|---|
| Molecular Weight | 593.17 g/mol |
| LogP | 5.6829 |
| Topological Polar Surface Area | 155.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 593.1711 |
| Heavy Atoms | 40 |
| Complexity | 1394.4354 |
Chemical Identifiers
| CAS Number | 84041-72-5 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NCCOC3=CC=C(C=C3)[N+](C)(C)C.COS(=O)(=O)[O-] |
Product Overview
EINECS 281-852-2 (CAS 84041-72-5), with molecular formula C26H32ClN5O7S and molecular weight 593.17 g/mol. IUPAC: [4-[2-[1-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethoxy]phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 281-852-2
Property Insights of EINECS 281-852-2
The XLogP value of 5.6829 indicates that EINECS 281-852-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.55 Ų indicates high polarity, suggesting EINECS 281-852-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 281-852-2 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 281-852-2?
The CAS number of EINECS 281-852-2 is 84041-72-5.
What is the molecular formula of EINECS 281-852-2?
The molecular formula of EINECS 281-852-2 is C26H32ClN5O7S.
What is the molecular weight of EINECS 281-852-2?
The molecular weight of EINECS 281-852-2 is 593.17 g/mol.
Where can I buy EINECS 281-852-2?
You can request a quote for EINECS 281-852-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-852-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-852-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.