6-喹啉甲酸乙酯
TL;DR: 6-喹啉甲酸乙酯 (CAS 73987-38-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-喹啉甲酸乙酯
ethyl quinoline-6-carboxylate
Also Known As: ethyl quinoline-6-carboxylate, Ethyl 6-quinolinecarboxylate, 6-Quinolinecarboxylic acid, ethyl ester, 6-Quinolinecarboxylic acid ethyl ester, 6-Quinolinecarboxylic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 73987-38-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=CC=C2 |
| InChIKey | SVHHAAQTOHCWJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-喹啉甲酸乙酯 (CAS 73987-38-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: ethyl quinoline-6-carboxylate.
Chemical Property Profile of 6-喹啉甲酸乙酯
Property Insights of 6-喹啉甲酸乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-喹啉甲酸乙酯. With a topological polar surface area (TPSA) of 39.2 Ų, 6-喹啉甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-喹啉甲酸乙酯 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 6-喹啉甲酸乙酯?
The CAS number of 6-喹啉甲酸乙酯 is 73987-38-9.
What is the molecular formula of 6-喹啉甲酸乙酯?
The molecular formula of 6-喹啉甲酸乙酯 is C12H11NO2.
What is the molecular weight of 6-喹啉甲酸乙酯?
The molecular weight of 6-喹啉甲酸乙酯 is 201.08 g/mol.
Where can I buy 6-喹啉甲酸乙酯?
You can request a quote for 6-喹啉甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-喹啉甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 6-喹啉甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.