Butyl isonicotinate
TL;DR: Butyl isonicotinate (CAS 13841-66-2) 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-4-carboxylate
Also Known As: Butyl isonicotinate, N-BUTYL ISONICOTINATE, butyl pyridine-4-carboxylate, Butylisonicotinate, n-Butylisonicotinate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.3 |
| 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 | 153.0 |
Chemical Identifiers
| CAS Number | 13841-66-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=NC=C1 |
| InChIKey | UMQFMEMKBWWILL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl isonicotinate (CAS 13841-66-2), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: butyl pyridine-4-carboxylate.
Chemical Property Profile of Butyl isonicotinate
Property Insights of Butyl isonicotinate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl isonicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Butyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl isonicotinate 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 isonicotinate?
The CAS number of Butyl isonicotinate is 13841-66-2.
What is the molecular formula of Butyl isonicotinate?
The molecular formula of Butyl isonicotinate is C10H13NO2.
What is the molecular weight of Butyl isonicotinate?
The molecular weight of Butyl isonicotinate is 179.09 g/mol.
Where can I buy Butyl isonicotinate?
You can request a quote for Butyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.