Ethyl 4-methylnicotinate
TL;DR: Ethyl 4-methylnicotinate (CAS 6316-72-9) 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.
ethyl 4-methylpyridine-3-carboxylate
Also Known As: ethyl 4-methylnicotinate, ethyl 4-methylpyridine-3-carboxylate, ethyl-4-methylnicotinoate, ETHYL4-METHYLNICOTINATE, ETHYL 4-METHYLNICOTI98%
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6316-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CN=C1)C |
| InChIKey | ZDXGKCWPISPQIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-methylnicotinate (CAS 6316-72-9), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl 4-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4-methylnicotinate
Property Insights of Ethyl 4-methylnicotinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methylnicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 4-methylnicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methylnicotinate 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 Ethyl 4-methylnicotinate?
The CAS number of Ethyl 4-methylnicotinate is 6316-72-9.
What is the molecular formula of Ethyl 4-methylnicotinate?
The molecular formula of Ethyl 4-methylnicotinate is C9H11NO2.
What is the molecular weight of Ethyl 4-methylnicotinate?
The molecular weight of Ethyl 4-methylnicotinate is 165.08 g/mol.
Where can I buy Ethyl 4-methylnicotinate?
You can request a quote for Ethyl 4-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.