methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 694524-75-9) is a chemical compound with molecular formula C27H28FNO4 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,7,8-pentahy droquinoline-3-carboxylate, methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C27H28FNO4 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 5.1491 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.20023 |
| Heavy Atoms | 33 |
| Complexity | 1133.0653 |
Chemical Identifiers
| CAS Number | 694524-75-9 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OC)C |
Product Overview
methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 694524-75-9), with molecular formula C27H28FNO4 and molecular weight 449.20 g/mol. IUPAC: methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 5.1491 indicates that methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-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 methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 694524-75-9.
What is the molecular formula of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C27H28FNO4.
What is the molecular weight of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 449.20 g/mol.
Where can I buy methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 7-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.