烟酸乙酯
TL;DR: 烟酸乙酯 (CAS 614-18-6) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸乙酯
ethyl pyridine-3-carboxylate
Also Known As: Ethyl nicotinate, Ethylnicotinate, Ignicut, Ethyl nicotinoate, ethyl pyridine-3-carboxylate
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 614-18-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CC=C1 |
| InChIKey | XBLVHTDFJBKJLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酸乙酯 (CAS 614-18-6), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: ethyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸乙酯
Property Insights of 烟酸乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸乙酯. With a topological polar surface area (TPSA) of 39.2 Ų, 烟酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸乙酯 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 烟酸乙酯?
The CAS number of 烟酸乙酯 is 614-18-6.
What is the molecular formula of 烟酸乙酯?
The molecular formula of 烟酸乙酯 is C8H9NO2.
What is the molecular weight of 烟酸乙酯?
The molecular weight of 烟酸乙酯 is 151.06 g/mol.
Where can I buy 烟酸乙酯?
You can request a quote for 烟酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.