Butyl nicotinate
TL;DR: Butyl nicotinate (CAS 6938-06-3) 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-3-carboxylate
Also Known As: Butyl nicotinate, n-Butyl nicotinate, Butylnicotinate, Butyl 3-pyridinecarboxylate, butyl pyridine-3-carboxylate
| 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 | 159.0 |
Chemical Identifiers
| CAS Number | 6938-06-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | DQULIMIQTCDUAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl nicotinate (CAS 6938-06-3), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: butyl pyridine-3-carboxylate.
Chemical Property Profile of Butyl nicotinate
Property Insights of Butyl nicotinate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Butyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl nicotinate 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 nicotinate?
The CAS number of Butyl nicotinate is 6938-06-3.
What is the molecular formula of Butyl nicotinate?
The molecular formula of Butyl nicotinate is C10H13NO2.
What is the molecular weight of Butyl nicotinate?
The molecular weight of Butyl nicotinate is 179.09 g/mol.
Where can I buy Butyl nicotinate?
You can request a quote for Butyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.