Propyl nicotinate
TL;DR: Propyl nicotinate (CAS 7681-15-4) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl pyridine-3-carboxylate
Also Known As: PROPYL NICOTINATE, Nicodan percutan, Nicodan, propyl pyridine-3-carboxylate, propylnicotinat
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 7681-15-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CN=CC=C1 |
| InChIKey | CLAOCVVWIKGTOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl nicotinate (CAS 7681-15-4), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: propyl pyridine-3-carboxylate.
Chemical Property Profile of Propyl nicotinate
Property Insights of Propyl nicotinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Propyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl nicotinate?
The CAS number of Propyl nicotinate is 7681-15-4.
What is the molecular formula of Propyl nicotinate?
The molecular formula of Propyl nicotinate is C9H11NO2.
What is the molecular weight of Propyl nicotinate?
The molecular weight of Propyl nicotinate is 165.08 g/mol.
Where can I buy Propyl nicotinate?
You can request a quote for Propyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Propyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.