1(4H)-pyridinecarboxylic acid, ethyl ester
TL;DR: 1(4H)-pyridinecarboxylic acid, ethyl ester (CAS 40339-63-7) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4H-pyridine-1-carboxylate
Also Known As: ethyl 4H-pyridine-1-carboxylate, ethyl pyridine-1(4H)-carboxylate, 1(4H)-pyridinecarboxylic acid, ethyl ester, N-Ethoxycarbonyl-1,4-dihydropyridin, 1(4H)-Pyridinecarboxylicacid, ethyl ester
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 40339-63-7 |
|---|---|
| SMILES | CCOC(=O)N1C=CCC=C1 |
| InChIKey | MGZYGKLZFQSIQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(4H)-pyridinecarboxylic acid, ethyl ester (CAS 40339-63-7), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: ethyl 4H-pyridine-1-carboxylate.
Chemical Property Profile of 1(4H)-pyridinecarboxylic acid, ethyl ester
Property Insights of 1(4H)-pyridinecarboxylic acid, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(4H)-pyridinecarboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 1(4H)-pyridinecarboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(4H)-pyridinecarboxylic acid, ethyl ester has 0 hydrogen bond donor(s) and 2 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 1(4H)-pyridinecarboxylic acid, ethyl ester?
The CAS number of 1(4H)-pyridinecarboxylic acid, ethyl ester is 40339-63-7.
What is the molecular formula of 1(4H)-pyridinecarboxylic acid, ethyl ester?
The molecular formula of 1(4H)-pyridinecarboxylic acid, ethyl ester is C8H11NO2.
What is the molecular weight of 1(4H)-pyridinecarboxylic acid, ethyl ester?
The molecular weight of 1(4H)-pyridinecarboxylic acid, ethyl ester is 153.08 g/mol.
Where can I buy 1(4H)-pyridinecarboxylic acid, ethyl ester?
You can request a quote for 1(4H)-pyridinecarboxylic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(4H)-pyridinecarboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(4H)-pyridinecarboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.