5-Hex-1-ynyl-2-furoic acid
TL;DR: 5-Hex-1-ynyl-2-furoic acid (CAS 845266-30-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hex-1-ynylfuran-2-carboxylic acid
Also Known As: 5-hex-1-ynyl-2-furoic acid, Maybridge1_004792, 5-hex-1-ynylfuran-2-carboxylic acid, 5-(hex-1-yn-1-yl)furan-2-carboxylic acid, 2-Furancarboxylic acid,5-(1-hexyn-1-yl)-
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 845266-30-0 |
|---|---|
| SMILES | CCCCC#CC1=CC=C(O1)C(=O)O |
| InChIKey | LXFGRCRCBLJJTD-UHFFFAOYSA-N |
Product Overview
5-Hex-1-ynyl-2-furoic acid (CAS 845266-30-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 5-hex-1-ynylfuran-2-carboxylic acid.
Chemical Property Profile of 5-Hex-1-ynyl-2-furoic acid
Property Insights of 5-Hex-1-ynyl-2-furoic acid
The XLogP value of 3.2 indicates that 5-Hex-1-ynyl-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 5-Hex-1-ynyl-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hex-1-ynyl-2-furoic 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 5-Hex-1-ynyl-2-furoic acid?
The CAS number of 5-Hex-1-ynyl-2-furoic acid is 845266-30-0.
What is the molecular formula of 5-Hex-1-ynyl-2-furoic acid?
The molecular formula of 5-Hex-1-ynyl-2-furoic acid is C11H12O3.
What is the molecular weight of 5-Hex-1-ynyl-2-furoic acid?
The molecular weight of 5-Hex-1-ynyl-2-furoic acid is 192.08 g/mol.
Where can I buy 5-Hex-1-ynyl-2-furoic acid?
You can request a quote for 5-Hex-1-ynyl-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hex-1-ynyl-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hex-1-ynyl-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.