5-(Phenylethynyl)furan-2-carboxylic acid
TL;DR: 5-(Phenylethynyl)furan-2-carboxylic acid (CAS 130423-83-5) is a chemical compound with molecular formula C13H8O3 and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylethynyl)furan-2-carboxylic acid
Also Known As: 5-(phenylethynyl)furan-2-carboxylic acid, 5-(phenylethynyl)-2-furoic acid, 5-(2-phenylethynyl)furan-2-carboxylic acid, 5-(2-PHENYLETH-1-YNYL)-2-FUROIC ACID, Maybridge1_008982
| Molecular Formula | C13H8O3 |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.3776 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04735 |
| Heavy Atoms | 16 |
| Complexity | 555.6088 |
Chemical Identifiers
| CAS Number | 130423-83-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)O |
Product Overview
5-(Phenylethynyl)furan-2-carboxylic acid (CAS 130423-83-5), with molecular formula C13H8O3 and molecular weight 212.05 g/mol. IUPAC: 5-(2-phenylethynyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-(Phenylethynyl)furan-2-carboxylic acid
Property Insights of 5-(Phenylethynyl)furan-2-carboxylic acid
The XLogP value of 2.3776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylethynyl)furan-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.44 Ų, 5-(Phenylethynyl)furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Phenylethynyl)furan-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 5-(Phenylethynyl)furan-2-carboxylic acid?
The CAS number of 5-(Phenylethynyl)furan-2-carboxylic acid is 130423-83-5.
What is the molecular formula of 5-(Phenylethynyl)furan-2-carboxylic acid?
The molecular formula of 5-(Phenylethynyl)furan-2-carboxylic acid is C13H8O3.
What is the molecular weight of 5-(Phenylethynyl)furan-2-carboxylic acid?
The molecular weight of 5-(Phenylethynyl)furan-2-carboxylic acid is 212.05 g/mol.
Where can I buy 5-(Phenylethynyl)furan-2-carboxylic acid?
You can request a quote for 5-(Phenylethynyl)furan-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylethynyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylethynyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.