Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate
TL;DR: Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate (CAS 13337-65-0) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylate
Also Known As: BAS 00340689, Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate, Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarboxylate, ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxylate, ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylate
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 13337-65-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=CC=C3)(C)C)C |
| InChIKey | HMPNSVDJZAEYIL-UHFFFAOYSA-N |
Product Overview
Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate (CAS 13337-65-0), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate
Property Insights of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate
The XLogP value of 4.1 indicates that Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate has 0 hydrogen bond donor(s) and 4 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-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate?
The CAS number of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate is 13337-65-0.
What is the molecular formula of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate?
The molecular formula of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate is C21H23NO3.
What is the molecular weight of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate?
The molecular weight of Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate is 337.17 g/mol.
Where can I buy Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate?
You can request a quote for Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate 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-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.