3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-
TL;DR: 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- (CAS 130997-38-5) is a chemical compound with molecular formula C11H10F3N3O2S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]propanamide
Also Known As: 2-Imino-6-(trifluoromethoxy)-3(2H)-benzothiazolepropanamide, 3-(2-Imino-6-trifluoromethoxy-3-benzothiazolinyl)propionamide, 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-, 3-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]propanamide, 3-[2-Imino-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]propanimidic acid
| Molecular Formula | C11H10F3N3O2S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 1.95627 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0446 |
| Heavy Atoms | 20 |
| Complexity | 704.98175 |
Chemical Identifiers
| CAS Number | 130997-38-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCC(=O)N |
Product Overview
3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- (CAS 130997-38-5), with molecular formula C11H10F3N3O2S and molecular weight 305.04 g/mol. IUPAC: 3-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]propanamide.
Chemical Property Profile of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-
Property Insights of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-
The XLogP value of 1.95627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-. Following Lipinski's Rule of Five, 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- 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(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-?
The CAS number of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- is 130997-38-5.
What is the molecular formula of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-?
The molecular formula of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- is C11H10F3N3O2S.
What is the molecular weight of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-?
The molecular weight of 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- is 305.04 g/mol.
Where can I buy 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-?
You can request a quote for 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzothiazolepropanamide, 2-imino-6-(trifluoromethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.