3-Butenoic acid, 4-(2-furanyl)-2-oxo-
TL;DR: 3-Butenoic acid, 4-(2-furanyl)-2-oxo- (CAS 5809-67-6) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-2-oxobut-3-enoic acid
Also Known As: 4-(furan-2-yl)-2-oxobut-3-enoic acid, 3-Butenoic acid, 4-(2-furanyl)-2-oxo-, 3-(2-furyl)-acrylcarboxylic acid, 4-furan-2-yl-2-oxo-but-3-enoic acid, RefChem:277904
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5809-67-6 |
|---|---|
| SMILES | C1=COC(=C1)C=CC(=O)C(=O)O |
| InChIKey | WPMRQAQTTMFMEF-UHFFFAOYSA-N |
Product Overview
3-Butenoic acid, 4-(2-furanyl)-2-oxo- (CAS 5809-67-6), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 4-(furan-2-yl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 3-Butenoic acid, 4-(2-furanyl)-2-oxo-
Property Insights of 3-Butenoic acid, 4-(2-furanyl)-2-oxo-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 4-(2-furanyl)-2-oxo-. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenoic acid, 4-(2-furanyl)-2-oxo-. Following Lipinski's Rule of Five, 3-Butenoic acid, 4-(2-furanyl)-2-oxo- has 1 hydrogen bond donor(s) and 4 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 3-Butenoic acid, 4-(2-furanyl)-2-oxo-?
The CAS number of 3-Butenoic acid, 4-(2-furanyl)-2-oxo- is 5809-67-6.
What is the molecular formula of 3-Butenoic acid, 4-(2-furanyl)-2-oxo-?
The molecular formula of 3-Butenoic acid, 4-(2-furanyl)-2-oxo- is C8H6O4.
What is the molecular weight of 3-Butenoic acid, 4-(2-furanyl)-2-oxo-?
The molecular weight of 3-Butenoic acid, 4-(2-furanyl)-2-oxo- is 166.03 g/mol.
Where can I buy 3-Butenoic acid, 4-(2-furanyl)-2-oxo-?
You can request a quote for 3-Butenoic acid, 4-(2-furanyl)-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 4-(2-furanyl)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 4-(2-furanyl)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.