呋格雷酯
TL;DR: 呋格雷酯 (CAS 85666-24-6) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋格雷酯
5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: furegrelate, Furegrelato, Furegarelatum, furegrelatum, Furegrelate [INN]
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 85666-24-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O |
| InChIKey | VHWFITPGPFLBGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋格雷酯 (CAS 85666-24-6), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 呋格雷酯
Property Insights of 呋格雷酯
The XLogP value of 3.0 indicates that Furegrelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 呋格雷酯. Following Lipinski's Rule of Five, Furegrelate 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 Furegrelate?
The CAS number of Furegrelate is 85666-24-6.
What is the molecular formula of Furegrelate?
The molecular formula of Furegrelate is C15H11NO3.
What is the molecular weight of Furegrelate?
The molecular weight of Furegrelate is 253.07 g/mol.
Where can I buy Furegrelate?
You can request a quote for Furegrelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furegrelate?
Yes, KEHONG BIO provides custom synthesis services for Furegrelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.