Picolinic acid, 5-octyl-
TL;DR: Picolinic acid, 5-octyl- (CAS 54814-52-7) 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.
5-octylpyridine-2-carboxylic acid
Also Known As: 5-Octylpicolinic acid, Picolinic acid, 5-octyl-, 5-octylpyridine-2-carboxylic acid, 5-Octyl-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 5-octyl-
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 54814-52-7 |
|---|---|
| SMILES | CCCCCCCCC1=CN=C(C=C1)C(=O)O |
| InChIKey | TVASHDLWKCMJDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Picolinic acid, 5-octyl- (CAS 54814-52-7), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: 5-octylpyridine-2-carboxylic acid.
Chemical Property Profile of Picolinic acid, 5-octyl-
Property Insights of Picolinic acid, 5-octyl-
The XLogP value of 4.8 indicates that Picolinic acid, 5-octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, Picolinic acid, 5-octyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picolinic acid, 5-octyl- has 1 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 Picolinic acid, 5-octyl-?
The CAS number of Picolinic acid, 5-octyl- is 54814-52-7.
What is the molecular formula of Picolinic acid, 5-octyl-?
The molecular formula of Picolinic acid, 5-octyl- is C14H21NO2.
What is the molecular weight of Picolinic acid, 5-octyl-?
The molecular weight of Picolinic acid, 5-octyl- is 235.16 g/mol.
Where can I buy Picolinic acid, 5-octyl-?
You can request a quote for Picolinic acid, 5-octyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picolinic acid, 5-octyl-?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.