N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide
TL;DR: N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide (CAS 866153-62-0) is a chemical compound with molecular formula C14H12F3NO2S and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
Also Known As: N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide, N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide, N-[(thiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
| Molecular Formula | C14H12F3NO2S |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 3.6192 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.05408 |
| Heavy Atoms | 21 |
| Complexity | 579.2666 |
Chemical Identifiers
| CAS Number | 866153-62-0 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=O)C2=CC=C(C=C2)OCC(F)(F)F |
Product Overview
N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide (CAS 866153-62-0), with molecular formula C14H12F3NO2S and molecular weight 315.05 g/mol. IUPAC: N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide.
Chemical Property Profile of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide
Property Insights of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide
The XLogP value of 3.6192 indicates that N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide has 1 hydrogen bond donor(s) and 3 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-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide?
The CAS number of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide is 866153-62-0.
What is the molecular formula of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide?
The molecular formula of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide is C14H12F3NO2S.
What is the molecular weight of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide?
The molecular weight of N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide is 315.05 g/mol.
Where can I buy N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide?
You can request a quote for N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-thienylmethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.