庚戊烟酯
TL;DR: 庚戊烟酯 (CAS 7237-81-2) is a chemical compound with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚戊烟酯
2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
Also Known As: hepronicate, Megrin, Hepronicato, Hepronicatum, Hepronicat
| Molecular Formula | C28H31N3O6 |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 505.22128 |
| Heavy Atoms | 37 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 7237-81-2 |
|---|---|
| SMILES | CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3 |
| InChIKey | GUIBJJJLGSYNKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚戊烟酯 (CAS 7237-81-2), with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol. IUPAC: 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate.
Chemical Property Profile of 庚戊烟酯
Property Insights of 庚戊烟酯
The XLogP value of 4.8 indicates that Hepronicate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 庚戊烟酯. Following Lipinski's Rule of Five, Hepronicate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hepronicate?
The CAS number of Hepronicate is 7237-81-2.
What is the molecular formula of Hepronicate?
The molecular formula of Hepronicate is C28H31N3O6.
What is the molecular weight of Hepronicate?
The molecular weight of Hepronicate is 505.22 g/mol.
Where can I buy Hepronicate?
You can request a quote for Hepronicate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepronicate?
Yes, KEHONG BIO provides custom synthesis services for Hepronicate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.