propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 695159-27-4) is a chemical compound with molecular formula C28H30FNO4 and molecular weight 463.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methylethyl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,6,7,8-pen tahydroquinoline-3-carboxylate, propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H30FNO4 |
|---|---|
| Molecular Weight | 463.22 g/mol |
| LogP | 5.5376 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.21588 |
| Heavy Atoms | 34 |
| Complexity | 1163.1835 |
Chemical Identifiers
| CAS Number | 695159-27-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OC(C)C)C |
Product Overview
propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 695159-27-4), with molecular formula C28H30FNO4 and molecular weight 463.22 g/mol. IUPAC: propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 5.5376 indicates that propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-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 propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-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 propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 695159-27-4.
What is the molecular formula of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C28H30FNO4.
What is the molecular weight of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 463.22 g/mol.
Where can I buy propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-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 propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.