Isonicotinic acid, hexyl ester
TL;DR: Isonicotinic acid, hexyl ester (CAS 7248-51-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl pyridine-4-carboxylate
Also Known As: hexyl pyridine-4-carboxylate, hexyl isonicotinate, Isonicotinic acid hexyl ester, Isonicotinic acid, hexyl ester, n-hexyl isonicotinate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 7248-51-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | MKYNICZKXITARB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonicotinic acid, hexyl ester (CAS 7248-51-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: hexyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, hexyl ester
Property Insights of Isonicotinic acid, hexyl ester
The XLogP value of 3.4 indicates that Isonicotinic acid, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Isonicotinic acid, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, hexyl ester has 0 hydrogen bond donor(s) and 3 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 Isonicotinic acid, hexyl ester?
The CAS number of Isonicotinic acid, hexyl ester is 7248-51-3.
What is the molecular formula of Isonicotinic acid, hexyl ester?
The molecular formula of Isonicotinic acid, hexyl ester is C12H17NO2.
What is the molecular weight of Isonicotinic acid, hexyl ester?
The molecular weight of Isonicotinic acid, hexyl ester is 207.13 g/mol.
Where can I buy Isonicotinic acid, hexyl ester?
You can request a quote for Isonicotinic acid, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinic acid, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.