2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid
TL;DR: 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid (CAS 109696-31-3) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylprop-2-ynoxycarbonyl)benzoic acid
Also Known As: 2-(1-phenylprop-2-ynoxycarbonyl)benzoic acid, 2-(((1-phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid, 2-{[(1-phenyl-2-propyn-1-yl)oxy]carbonyl}benzoic acid, 2-{[(1-phenylprop-2-yn-1-yl)oxy]carbonyl}benzoic acid
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.9161 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 698.2301 |
Chemical Identifiers
| CAS Number | 109696-31-3 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid (CAS 109696-31-3), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 2-(1-phenylprop-2-ynoxycarbonyl)benzoic acid.
Chemical Property Profile of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid
Property Insights of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid
The XLogP value of 2.9161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid 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 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid?
The CAS number of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid is 109696-31-3.
What is the molecular formula of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid?
The molecular formula of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid is C17H12O4.
What is the molecular weight of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid?
The molecular weight of 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid is 280.07 g/mol.
Where can I buy 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid?
You can request a quote for 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1-Phenylprop-2-yn-1-yl)oxy)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.