Butyl pyridine-2-carboxylate
TL;DR: Butyl pyridine-2-carboxylate (CAS 5340-88-5) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl pyridine-2-carboxylate
Also Known As: butyl picolinate, Butyl pyridine-2-carboxylate, n-Butyl picolinate, Butyl 2-pyridinecarboxylate, Picolinic acid butyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5340-88-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=N1 |
| InChIKey | HZUPDAXALKWCGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl pyridine-2-carboxylate (CAS 5340-88-5), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: butyl pyridine-2-carboxylate.
Chemical Property Profile of Butyl pyridine-2-carboxylate
Property Insights of Butyl pyridine-2-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl pyridine-2-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Butyl pyridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl pyridine-2-carboxylate 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 Butyl pyridine-2-carboxylate?
The CAS number of Butyl pyridine-2-carboxylate is 5340-88-5.
What is the molecular formula of Butyl pyridine-2-carboxylate?
The molecular formula of Butyl pyridine-2-carboxylate is C10H13NO2.
What is the molecular weight of Butyl pyridine-2-carboxylate?
The molecular weight of Butyl pyridine-2-carboxylate is 179.09 g/mol.
Where can I buy Butyl pyridine-2-carboxylate?
You can request a quote for Butyl pyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.