Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
TL;DR: Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate (CAS 6747-46-2) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
Also Known As: Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate, Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,5,6,7-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 4.1083 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.20966 |
| Heavy Atoms | 28 |
| Complexity | 832.6632 |
Chemical Identifiers
| CAS Number | 6747-46-2 |
|---|---|
| SMILES | CCC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate (CAS 6747-46-2), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
Property Insights of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
The XLogP value of 4.1083 indicates that Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate?
The CAS number of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate is 6747-46-2.
What is the molecular formula of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate?
The molecular formula of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate is C23H29NO4.
What is the molecular weight of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate?
The molecular weight of Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate is 383.21 g/mol.
Where can I buy Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate?
You can request a quote for Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-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 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.