![N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide structure](/static/products/222/222022-22-2.png)
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
TL;DR: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CAS 222022-22-2) is a chemical compound with molecular formula C15H9F3N2OS and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
Also Known As: J1.079.293B, 2-[4-(Trifluoroacetylamino)phenyl]benzothiazole, N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide, A2108/0088589, N-(4-Benzothiazol-2-yl-phenyl)-2,2,2-trifluoro-acetamide
| Molecular Formula | C15H9F3N2OS |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.03876 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 222022-22-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(F)(F)F |
| InChIKey | YJRNLSYFJPRKEE-UHFFFAOYSA-N |
Product Overview
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CAS 222022-22-2), with molecular formula C15H9F3N2OS and molecular weight 322.04 g/mol. IUPAC: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
Property Insights of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
The XLogP value of 4.6 indicates that N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide 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-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The CAS number of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is 222022-22-2.
What is the molecular formula of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The molecular formula of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is C15H9F3N2OS.
What is the molecular weight of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The molecular weight of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is 322.04 g/mol.
Where can I buy N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
You can request a quote for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.