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N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
TL;DR: N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide (CAS 439095-73-5) is a chemical compound with molecular formula C22H14F3NO and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzamide
Also Known As: Bionet1_000060, MixCom2_000219, N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzamide, N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide, 1T-1165
| Molecular Formula | C22H14F3NO |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | 5.3575 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.10275 |
| Heavy Atoms | 27 |
| Complexity | 997.46814 |
Chemical Identifiers
| CAS Number | 439095-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide (CAS 439095-73-5), with molecular formula C22H14F3NO and molecular weight 365.10 g/mol. IUPAC: N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
Property Insights of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide
The XLogP value of 5.3575 indicates that N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The CAS number of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is 439095-73-5.
What is the molecular formula of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The molecular formula of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is C22H14F3NO.
What is the molecular weight of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
The molecular weight of N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide is 365.10 g/mol.
Where can I buy N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
You can request a quote for N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(2-phenylethynyl)phenyl]-3-(trifluoromethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.