N-2-苯并噻唑基-2,2,2-三氟乙酰胺
TL;DR: N-2-苯并噻唑基-2,2,2-三氟乙酰胺 (CAS 61906-65-8) is a chemical compound with molecular formula C9H5F3N2OS and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-2-苯并噻唑基-2,2,2-三氟乙酰胺
N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
Also Known As: N-2-Benzothiazolyl-2,2,2-trifluoroacetamide, Acetamide, N-2-benzothiazolyl-2,2,2-trifluoro-, N-(Benzothiazole-2-yl)trifluoroacetamide, BAS 00835307, 2-(2,2,2-trifluoroacetamido)benzothiazole
| Molecular Formula | C9H5F3N2OS |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.00746 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 61906-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)C(F)(F)F |
| InChIKey | OJYXDRRHLBMRII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-2-苯并噻唑基-2,2,2-三氟乙酰胺 (CAS 61906-65-8), with molecular formula C9H5F3N2OS and molecular weight 246.01 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-2-苯并噻唑基-2,2,2-三氟乙酰胺
Property Insights of N-2-苯并噻唑基-2,2,2-三氟乙酰胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-苯并噻唑基-2,2,2-三氟乙酰胺. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-2-苯并噻唑基-2,2,2-三氟乙酰胺. Following Lipinski's Rule of Five, N-2-苯并噻唑基-2,2,2-三氟乙酰胺 has 1 hydrogen bond donor(s) and 6 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 N-2-苯并噻唑基-2,2,2-三氟乙酰胺?
The CAS number of N-2-苯并噻唑基-2,2,2-三氟乙酰胺 is 61906-65-8.
What is the molecular formula of N-2-苯并噻唑基-2,2,2-三氟乙酰胺?
The molecular formula of N-2-苯并噻唑基-2,2,2-三氟乙酰胺 is C9H5F3N2OS.
What is the molecular weight of N-2-苯并噻唑基-2,2,2-三氟乙酰胺?
The molecular weight of N-2-苯并噻唑基-2,2,2-三氟乙酰胺 is 246.01 g/mol.
Where can I buy N-2-苯并噻唑基-2,2,2-三氟乙酰胺?
You can request a quote for N-2-苯并噻唑基-2,2,2-三氟乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-苯并噻唑基-2,2,2-三氟乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-2-苯并噻唑基-2,2,2-三氟乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.