2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate
TL;DR: 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate (CAS 130997-76-1) is a chemical compound with molecular formula C17H14F3N3O6S2 and molecular weight 477.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;3-(2-pyridin-4-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Also Known As: 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate, 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylsulfinyl)ethyl)-6-(trifluoromethoxy)-, ethanedioate (1:1), oxalic acid,3-(2-pyridin-4-ylsulfinylethyl)-6-(trifluorometh, oxalic acid; 3-(2-pyridin-4-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine, Oxalic acid--3-[2-(pyridine-4-sulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine (1/1)
| Molecular Formula | C17H14F3N3O6S2 |
|---|---|
| Molecular Weight | 477.03 g/mol |
| LogP | 2.43927 |
| Topological Polar Surface Area | 142.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.02762 |
| Heavy Atoms | 31 |
| Complexity | 1149.3687 |
Chemical Identifiers
| CAS Number | 130997-76-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCS(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O |
Product Overview
2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate (CAS 130997-76-1), with molecular formula C17H14F3N3O6S2 and molecular weight 477.03 g/mol. IUPAC: oxalic acid;3-(2-pyridin-4-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate
Property Insights of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate
The XLogP value of 2.43927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate. The TPSA of 142.57 Ų indicates high polarity, suggesting 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate has 3 hydrogen bond donor(s) and 7 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-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate?
The CAS number of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate is 130997-76-1.
What is the molecular formula of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate?
The molecular formula of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate is C17H14F3N3O6S2.
What is the molecular weight of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate?
The molecular weight of 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate is 477.03 g/mol.
Where can I buy 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate?
You can request a quote for 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-3-(2-(4-pyridylsulphinyl)ethyl)-6-trifluoroomethoxybenzothiazoline oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.