WF 3681
TL;DR: WF 3681 (CAS 90055-27-9) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
Also Known As: MEGxm0_000256, ACon0_001447, ACon1_000871, 3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid, (+-)-WS 3681
| Molecular Formula | C13H12O5 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06847 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 90055-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)OC2CCC(=O)O)O |
| InChIKey | PPZVSYXNLXFYAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WF 3681 (CAS 90055-27-9), with molecular formula C13H12O5 and molecular weight 248.07 g/mol. IUPAC: 3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid.
Chemical Property Profile of WF 3681
Property Insights of WF 3681
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WF 3681. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for WF 3681. Following Lipinski's Rule of Five, WF 3681 has 2 hydrogen bond donor(s) and 5 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 WF 3681?
The CAS number of WF 3681 is 90055-27-9.
What is the molecular formula of WF 3681?
The molecular formula of WF 3681 is C13H12O5.
What is the molecular weight of WF 3681?
The molecular weight of WF 3681 is 248.07 g/mol.
Where can I buy WF 3681?
You can request a quote for WF 3681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WF 3681?
Yes, KEHONG BIO provides custom synthesis services for WF 3681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.