Hex-3-enyl pyridine-3-carboxylate
TL;DR: Hex-3-enyl pyridine-3-carboxylate (CAS 85098-91-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl pyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylicacid, 3-hexenyl ester, (Z)- (9CI)
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.5947 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 319.6538 |
Chemical Identifiers
| CAS Number | 85098-91-5 |
|---|---|
| SMILES | CCC=CCCOC(=O)C1=CN=CC=C1 |
Product Overview
Hex-3-enyl pyridine-3-carboxylate (CAS 85098-91-5), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: hex-3-enyl pyridine-3-carboxylate.
Chemical Property Profile of Hex-3-enyl pyridine-3-carboxylate
Property Insights of Hex-3-enyl pyridine-3-carboxylate
The XLogP value of 2.5947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-3-enyl pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Hex-3-enyl pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl pyridine-3-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 Hex-3-enyl pyridine-3-carboxylate?
The CAS number of Hex-3-enyl pyridine-3-carboxylate is 85098-91-5.
What is the molecular formula of Hex-3-enyl pyridine-3-carboxylate?
The molecular formula of Hex-3-enyl pyridine-3-carboxylate is C12H15NO2.
What is the molecular weight of Hex-3-enyl pyridine-3-carboxylate?
The molecular weight of Hex-3-enyl pyridine-3-carboxylate is 205.11 g/mol.
Where can I buy Hex-3-enyl pyridine-3-carboxylate?
You can request a quote for Hex-3-enyl pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.