Ethyl-phenothiazin-2-carbamat
TL;DR: Ethyl-phenothiazin-2-carbamat (CAS 4379-76-4) is a chemical compound with molecular formula C20H27Cl2N5O6S and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;methyl sulfate
Also Known As: Ethyl-phenothiazin-2-carbamat, (2-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)trimethylammonium methyl sulphate, [2-[[4-[ azo]phenyl]ethylamino]ethyl]trimethylammoniummethylsulphate, 2-((N-(4-(2,6-Dichloro-4-nitrophenyl)azo)phenyl)-N-ethyl)amino)-N,N,N-trimethylethanaminium, methyl sulfate, 2-[[4-(2,6-dichloro-4-nitro-phenyl)diazenylphenyl]-ethyl-amino]ethyl-trimethyl-azanium; sulfonatooxymethane
| Molecular Formula | C20H27Cl2N5O6S |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | 4.9425 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1059 |
| Heavy Atoms | 34 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 4379-76-4 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl.COS(=O)(=O)[O-] |
| InChIKey | OMAWCUOTEHMCOL-UHFFFAOYSA-M |
Product Overview
Ethyl-phenothiazin-2-carbamat (CAS 4379-76-4), with molecular formula C20H27Cl2N5O6S and molecular weight 535.11 g/mol. IUPAC: 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of Ethyl-phenothiazin-2-carbamat
Property Insights of Ethyl-phenothiazin-2-carbamat
The XLogP value of 4.9425 indicates that Ethyl-phenothiazin-2-carbamat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Ethyl-phenothiazin-2-carbamat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl-phenothiazin-2-carbamat has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl-phenothiazin-2-carbamat?
The CAS number of Ethyl-phenothiazin-2-carbamat is 4379-76-4.
What is the molecular formula of Ethyl-phenothiazin-2-carbamat?
The molecular formula of Ethyl-phenothiazin-2-carbamat is C20H27Cl2N5O6S.
What is the molecular weight of Ethyl-phenothiazin-2-carbamat?
The molecular weight of Ethyl-phenothiazin-2-carbamat is 535.11 g/mol.
Where can I buy Ethyl-phenothiazin-2-carbamat?
You can request a quote for Ethyl-phenothiazin-2-carbamat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-phenothiazin-2-carbamat?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-phenothiazin-2-carbamat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.