3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
TL;DR: 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate (CAS 6764-98-3) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3-Ethyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,4a,5,6,7-hexahydroquinoline-3,6-dicarboxylate
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 2.62002 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 877.2119 |
Chemical Identifiers
| CAS Number | 6764-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=CC(C(C(=O)C2C1C3=CC=C(O3)C)C(=O)OC)C)C |
Product Overview
3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate (CAS 6764-98-3), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
Property Insights of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
The XLogP value of 2.62002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The CAS number of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate is 6764-98-3.
What is the molecular formula of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The molecular formula of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate is C21H25NO6.
What is the molecular weight of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The molecular weight of 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate is 387.17 g/mol.
Where can I buy 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate?
You can request a quote for 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.