Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate
TL;DR: Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 106960-78-5) 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.
ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate
Also Known As: ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate, Ethyl 5,6,7,8-tetrahydro-3-quinolinecarboxylate, Ethyl 5,6,7,8-tetrahydro-3-quinolinecarboxylate #, 3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-, ethyl ester, InChI=1/C12H15NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h7-8H,2-6H2,1H
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 106960-78-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(CCCC2)N=C1 |
| InChIKey | ZWOOYLGOJJWVHK-UHFFFAOYSA-N |
Product Overview
Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 106960-78-5), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate
Property Insights of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,6,7,8-tetrahydroquinoline-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 Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate?
The CAS number of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate is 106960-78-5.
What is the molecular formula of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular formula of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate is C12H15NO2.
What is the molecular weight of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular weight of Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate is 205.11 g/mol.
Where can I buy Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate?
You can request a quote for Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6,7,8-tetrahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.