Isonicotinic acid, octyl ester
TL;DR: Isonicotinic acid, octyl ester (CAS 40975-41-5) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl pyridine-4-carboxylate
Also Known As: octyl pyridine-4-carboxylate, Isonicotinic acid, octyl ester, Isonicotinic acid octyl ester, Nicotinic Acid n-Octyl Ester, 4-Pyridinecarboxylic acid octyl ester
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 40975-41-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | GGLVNUJXRYCZHW-UHFFFAOYSA-N |
Product Overview
Isonicotinic acid, octyl ester (CAS 40975-41-5), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: octyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, octyl ester
Property Insights of Isonicotinic acid, octyl ester
The XLogP value of 4.6 indicates that Isonicotinic acid, octyl 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, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, octyl 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, octyl ester?
The CAS number of Isonicotinic acid, octyl ester is 40975-41-5.
What is the molecular formula of Isonicotinic acid, octyl ester?
The molecular formula of Isonicotinic acid, octyl ester is C14H21NO2.
What is the molecular weight of Isonicotinic acid, octyl ester?
The molecular weight of Isonicotinic acid, octyl ester is 235.16 g/mol.
Where can I buy Isonicotinic acid, octyl ester?
You can request a quote for Isonicotinic acid, octyl 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, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.