2-(Phenylethynyl)benzamide
TL;DR: 2-(Phenylethynyl)benzamide (CAS 80221-08-5) is a chemical compound with molecular formula C15H11NO and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethynyl)benzamide
Also Known As: 2-(phenylethynyl)benzamide, o-phenylethynylbenzamide, 2-Phenylethynylbenzamide, 2-(2-phenylethynyl)benzamide, J1.197.402C
| Molecular Formula | C15H11NO |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 2.1853 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.08406 |
| Heavy Atoms | 17 |
| Complexity | 591.064 |
Chemical Identifiers
| CAS Number | 80221-08-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)N |
Product Overview
2-(Phenylethynyl)benzamide (CAS 80221-08-5), with molecular formula C15H11NO and molecular weight 221.08 g/mol. IUPAC: 2-(2-phenylethynyl)benzamide.
Chemical Property Profile of 2-(Phenylethynyl)benzamide
Property Insights of 2-(Phenylethynyl)benzamide
The XLogP value of 2.1853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylethynyl)benzamide. With a topological polar surface area (TPSA) of 43.09 Ų, 2-(Phenylethynyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylethynyl)benzamide has 1 hydrogen bond donor(s) and 1 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 2-(Phenylethynyl)benzamide?
The CAS number of 2-(Phenylethynyl)benzamide is 80221-08-5.
What is the molecular formula of 2-(Phenylethynyl)benzamide?
The molecular formula of 2-(Phenylethynyl)benzamide is C15H11NO.
What is the molecular weight of 2-(Phenylethynyl)benzamide?
The molecular weight of 2-(Phenylethynyl)benzamide is 221.08 g/mol.
Where can I buy 2-(Phenylethynyl)benzamide?
You can request a quote for 2-(Phenylethynyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylethynyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylethynyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.