4-(Furan-2-yl)-2-oxobut-3-enoic acid
TL;DR: 4-(Furan-2-yl)-2-oxobut-3-enoic acid (CAS 42393-09-9) 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.
(E)-4-(furan-2-yl)-2-oxobut-3-enoic acid
Also Known As: 4-(furan-2-yl)-2-oxobut-3-enoic acid, 4-furan-2-yl-2-oxo-but-3-enoic acid, (E)-4-furan-2-yl-2-oxo-but-3-enoic acid, (3e)-4-(2-furanyl)-2-oxo-3-butenoic acid, (E)-4-(furan-2-yl)-2-oxobut-3-enoic acid
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 0.9465 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 307.80865 |
Chemical Identifiers
| CAS Number | 42393-09-9 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)C(=O)O |
Product Overview
4-(Furan-2-yl)-2-oxobut-3-enoic acid (CAS 42393-09-9), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: (E)-4-(furan-2-yl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 4-(Furan-2-yl)-2-oxobut-3-enoic acid
Property Insights of 4-(Furan-2-yl)-2-oxobut-3-enoic acid
The XLogP value of 0.9465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Furan-2-yl)-2-oxobut-3-enoic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Furan-2-yl)-2-oxobut-3-enoic acid. Following Lipinski's Rule of Five, 4-(Furan-2-yl)-2-oxobut-3-enoic 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 4-(Furan-2-yl)-2-oxobut-3-enoic acid?
The CAS number of 4-(Furan-2-yl)-2-oxobut-3-enoic acid is 42393-09-9.
What is the molecular formula of 4-(Furan-2-yl)-2-oxobut-3-enoic acid?
The molecular formula of 4-(Furan-2-yl)-2-oxobut-3-enoic acid is C8H6O4.
What is the molecular weight of 4-(Furan-2-yl)-2-oxobut-3-enoic acid?
The molecular weight of 4-(Furan-2-yl)-2-oxobut-3-enoic acid is 166.03 g/mol.
Where can I buy 4-(Furan-2-yl)-2-oxobut-3-enoic acid?
You can request a quote for 4-(Furan-2-yl)-2-oxobut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Furan-2-yl)-2-oxobut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Furan-2-yl)-2-oxobut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.