Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate
TL;DR: Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate (CAS 54915-68-3) 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 3,4-dihydro-2H-quinoline-1-carboxylate
Also Known As: ethyl 3,4-dihydroquinoline-1(2h)-carboxylate, N-carbethoxydihydro-quinoline, 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-, ethyl ester, ethyl 3,4-dihydro-1(2H)-quinoline carboxylate, ethyl 1,2,3,4-tetrahydroquinoline-1-carboxylate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 54915-68-3 |
|---|---|
| SMILES | CCOC(=O)N1CCCC2=CC=CC=C21 |
| InChIKey | YQBRPZBLROENTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate (CAS 54915-68-3), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl 3,4-dihydro-2H-quinoline-1-carboxylate.
Chemical Property Profile of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate
Property Insights of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate 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 Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate?
The CAS number of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate is 54915-68-3.
What is the molecular formula of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular formula of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate is C12H15NO2.
What is the molecular weight of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate?
The molecular weight of Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate is 205.11 g/mol.
Where can I buy Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate?
You can request a quote for Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydroquinoline-1(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.