Allyl nicotinate
TL;DR: Allyl nicotinate (CAS 25635-12-5) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl pyridine-3-carboxylate
Also Known As: Allyl nicotinate, Allyl-nicotinat, ALLYLNICOTINATE, Nicotinic acid, allyl ester, prop-2-enyl pyridine-3-carboxylate
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 25635-12-5 |
|---|---|
| SMILES | C=CCOC(=O)C1=CN=CC=C1 |
| InChIKey | SJUZMXLTUGZSSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl nicotinate (CAS 25635-12-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: prop-2-enyl pyridine-3-carboxylate.
Chemical Property Profile of Allyl nicotinate
Property Insights of Allyl nicotinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Allyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl nicotinate?
The CAS number of Allyl nicotinate is 25635-12-5.
What is the molecular formula of Allyl nicotinate?
The molecular formula of Allyl nicotinate is C9H9NO2.
What is the molecular weight of Allyl nicotinate?
The molecular weight of Allyl nicotinate is 163.06 g/mol.
Where can I buy Allyl nicotinate?
You can request a quote for Allyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Allyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.