diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
TL;DR: diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate (CAS 1005135-82-9) is a chemical compound with molecular formula C31H27ClF2N2O5S and molecular weight 612.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
Also Known As: diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate, DIETHYL 2-AMINO-4-(3-CHLOROPHENYL)-1-(2,4-DIFLUOROPHENYL)-5-OXO-7-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3,6-QUINOLINEDICARBOXYLATE, diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
Technical Specifications
| Molecular Formula | C31H27ClF2N2O5S |
| Molecular Weight | 612.1297 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 612.1297 Da |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC=CS5 |
| InChIKey | ZIRGECIWPQAGCC-UHFFFAOYSA-N |
Chemical Property Profile of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
Property Insights of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
The XLogP value of 6.6 indicates that diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate?
The CAS number of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate is 1005135-82-9.
What is the molecular formula of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate?
The molecular formula of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate is C31H27ClF2N2O5S.
What is the molecular weight of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate?
The molecular weight of diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate is 612.1297 g/mol.
Where can I buy diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate?
You can request a quote for diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.