Nicotinic acid, pentyl ester
TL;DR: Nicotinic acid, pentyl ester (CAS 49558-04-5) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl pyridine-3-carboxylate
Also Known As: AMYL NICOTINATE, pentyl pyridine-3-carboxylate, Nicotinic acid, pentyl ester, Auxiliary substrate, 12a, Nicotinic acid pentyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 49558-04-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | SYIRQWIOOCVBTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, pentyl ester (CAS 49558-04-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: pentyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, pentyl ester
Property Insights of Nicotinic acid, pentyl ester
The XLogP value of 3.0 indicates that Nicotinic acid, pentyl 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, Nicotinic acid, pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, pentyl 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 Nicotinic acid, pentyl ester?
The CAS number of Nicotinic acid, pentyl ester is 49558-04-5.
What is the molecular formula of Nicotinic acid, pentyl ester?
The molecular formula of Nicotinic acid, pentyl ester is C11H15NO2.
What is the molecular weight of Nicotinic acid, pentyl ester?
The molecular weight of Nicotinic acid, pentyl ester is 193.11 g/mol.
Where can I buy Nicotinic acid, pentyl ester?
You can request a quote for Nicotinic acid, pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.