Nicofurate
TL;DR: Nicofurate (CAS 5429-64-1) is a chemical compound with molecular formula C35H28N4O11 and molecular weight 680.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxycarbonyl-5-methylfuran-2-yl)-2,3,4-tris(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate
Also Known As: Nicofurate, KST-1B5207, 1,4-anhydro-2,3-dideoxy-2-(methoxycarbonyl)-1-methyl-5,6,7,8-tetrakis-o-(pyridin-3-ylcarbonyl)octa-1,3-dienitol, Tetranicotinic acid 1-(3-methoxycarbonyl-2-methylfuran-5-yl)butane-1,2,3,4-tetryl ester, [4-(4-methoxycarbonyl-5-methylfuran-2-yl)-2,3,4-tris(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate
| Molecular Formula | C35H28N4O11 |
|---|---|
| Molecular Weight | 680.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 680.1755 |
| Heavy Atoms | 50 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 5429-64-1 |
|---|---|
| SMILES | CC1=C(C=C(O1)C(C(C(COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C(=O)OC |
| InChIKey | BNYZXONJFQJYPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicofurate (CAS 5429-64-1), with molecular formula C35H28N4O11 and molecular weight 680.18 g/mol. IUPAC: [4-(4-methoxycarbonyl-5-methylfuran-2-yl)-2,3,4-tris(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate.
Chemical Property Profile of Nicofurate
Property Insights of Nicofurate
The XLogP value of 3.2 indicates that Nicofurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Nicofurate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicofurate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicofurate?
The CAS number of Nicofurate is 5429-64-1.
What is the molecular formula of Nicofurate?
The molecular formula of Nicofurate is C35H28N4O11.
What is the molecular weight of Nicofurate?
The molecular weight of Nicofurate is 680.18 g/mol.
Where can I buy Nicofurate?
You can request a quote for Nicofurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicofurate?
Yes, KEHONG BIO provides custom synthesis services for Nicofurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.