Isonicotinic acid, decyl ester
TL;DR: Isonicotinic acid, decyl ester (CAS 93145-74-5) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl pyridine-4-carboxylate
Also Known As: decyl isonicotinate, decylisonicotinate, Isonicotinic acid decyl ester, decyl pyridine-4-carboxylate, Isonicotinic acid, decyl ester
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 93145-74-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | FCQDHSSRNVWWOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonicotinic acid, decyl ester (CAS 93145-74-5), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: decyl pyridine-4-carboxylate.
Chemical Property Profile of Isonicotinic acid, decyl ester
Property Insights of Isonicotinic acid, decyl ester
The XLogP value of 5.7 indicates that Isonicotinic acid, decyl 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, decyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, decyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isonicotinic acid, decyl ester?
The CAS number of Isonicotinic acid, decyl ester is 93145-74-5.
What is the molecular formula of Isonicotinic acid, decyl ester?
The molecular formula of Isonicotinic acid, decyl ester is C16H25NO2.
What is the molecular weight of Isonicotinic acid, decyl ester?
The molecular weight of Isonicotinic acid, decyl ester is 263.19 g/mol.
Where can I buy Isonicotinic acid, decyl ester?
You can request a quote for Isonicotinic acid, decyl 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, decyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinic acid, decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.