2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester
TL;DR: 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester (CAS 280571-45-1) is a chemical compound with molecular formula C16H13FO5 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
Also Known As: 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester, methyl 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate, 2-Butenoic acid, 4-[5-[(4-fluorophenyl)methyl]-2-furanyl]-2-hydroxy-4-oxo-, methyl ester, 2-Butenoic acid,4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-,methyl ester, 2-Butenoic acid,4-[5-[(4-fluorophenyl)methyl]-2-furanyl]-2-hydroxy-4-oxo-, methyl ester
| Molecular Formula | C16H13FO5 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.0747 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 280571-45-1 |
|---|---|
| SMILES | COC(=O)C(=O)C=C(C1=CC=C(O1)CC2=CC=C(C=C2)F)O |
| InChIKey | XYLMZMHZRUNQTE-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester (CAS 280571-45-1), with molecular formula C16H13FO5 and molecular weight 304.07 g/mol. IUPAC: methyl 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester
Property Insights of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester
The XLogP value of 3.2 indicates that 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester has 1 hydrogen bond donor(s) and 6 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-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester?
The CAS number of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester is 280571-45-1.
What is the molecular formula of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester is C16H13FO5.
What is the molecular weight of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester is 304.07 g/mol.
Where can I buy 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-(5-((4-fluorophenyl)methyl)-2-furanyl)-2-hydroxy-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.