3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
TL;DR: 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-67-0) is a chemical compound with molecular formula C12H13ClF3N3O2S and molecular weight 355.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl]acetamide;hydrochloride
Also Known As: 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride, N-(2-(2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolyl)ethyl)acetamide monohydrochloride, Acetamide, N-(2-(2-imino-6-(trifluoromethoxy)-3(2H)-benzothiazolyl)ethyl)-, monohydrochloride, N-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl]acetamide hydrochloride, N-{2-[2-Imino-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]ethyl}ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C12H13ClF3N3O2S |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 2.63877 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.0369 |
| Heavy Atoms | 22 |
| Complexity | 726.45526 |
Chemical Identifiers
| CAS Number | 130997-67-0 |
|---|---|
| SMILES | CC(=O)NCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N.Cl |
Product Overview
3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-67-0), with molecular formula C12H13ClF3N3O2S and molecular weight 355.04 g/mol. IUPAC: N-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl]acetamide;hydrochloride.
Chemical Property Profile of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
Property Insights of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
The XLogP value of 2.63877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride. Following Lipinski's Rule of Five, 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride has 2 hydrogen bond donor(s) and 4 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 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The CAS number of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is 130997-67-0.
What is the molecular formula of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular formula of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is C12H13ClF3N3O2S.
What is the molecular weight of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular weight of 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is 355.04 g/mol.
Where can I buy 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
You can request a quote for 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.