EINECS 281-572-0
TL;DR: EINECS 281-572-0 (CAS 83968-94-9) is a chemical compound with molecular formula C22H30N6O6S and molecular weight 506.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]ethyl-trimethylazanium;methyl sulfate
Also Known As: EINECS 281-572-0, 2-[1-[4-(2-cyano-4-nitro-phenyl)diazenyl-3-methyl-phenyl]ethylamino]ethyl-trimethyl-azanium; sulfonatooxymethane, 2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]ethyl-trimethylazanium; methyl sulfate
| Molecular Formula | C22H30N6O6S |
|---|---|
| Molecular Weight | 506.19 g/mol |
| LogP | 3.6401 |
| Topological Polar Surface Area | 170.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.19476 |
| Heavy Atoms | 35 |
| Complexity | 1201.8925 |
Chemical Identifiers
| CAS Number | 83968-94-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)NCC[N+](C)(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.COS(=O)(=O)[O-] |
Product Overview
EINECS 281-572-0 (CAS 83968-94-9), with molecular formula C22H30N6O6S and molecular weight 506.19 g/mol. IUPAC: 2-[1-[4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 281-572-0
Property Insights of EINECS 281-572-0
The XLogP value of 3.6401 indicates that EINECS 281-572-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.11 Ų indicates high polarity, suggesting EINECS 281-572-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 281-572-0 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 281-572-0?
The CAS number of EINECS 281-572-0 is 83968-94-9.
What is the molecular formula of EINECS 281-572-0?
The molecular formula of EINECS 281-572-0 is C22H30N6O6S.
What is the molecular weight of EINECS 281-572-0?
The molecular weight of EINECS 281-572-0 is 506.19 g/mol.
Where can I buy EINECS 281-572-0?
You can request a quote for EINECS 281-572-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-572-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-572-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.