2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate
TL;DR: 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate (CAS 467447-27-4) is a chemical compound with molecular formula C21H21F3N2O5S and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;oxalic acid
Also Known As: 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate, 2-(diethylamino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone; oxalic acid, IUPAC: 2-diethylamino-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone; Oxalic Acid
| Molecular Formula | C21H21F3N2O5S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 4.3321 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.11234 |
| Heavy Atoms | 32 |
| Complexity | 997.1699 |
Chemical Identifiers
| CAS Number | 467447-27-4 |
|---|---|
| SMILES | CCN(CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O |
Product Overview
2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate (CAS 467447-27-4), with molecular formula C21H21F3N2O5S and molecular weight 470.11 g/mol. IUPAC: 2-(diethylamino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;oxalic acid.
Chemical Property Profile of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate
Property Insights of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate
The XLogP value of 4.3321 indicates that 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate. Following Lipinski's Rule of Five, 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate?
The CAS number of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate is 467447-27-4.
What is the molecular formula of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate?
The molecular formula of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate is C21H21F3N2O5S.
What is the molecular weight of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate?
The molecular weight of 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate is 470.11 g/mol.
Where can I buy 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate?
You can request a quote for 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)ethanone oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.