(tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 1005178-29-9) is a chemical compound with molecular formula C26H25F2NO4S and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, oxolan-2-ylmethyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,6,7, 8-pentahydroquinoline-3-carboxylate, oxolan-2-ylmethyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, tetrahydrofuran-2-ylmethyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C26H25F2NO4S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 5.1101 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.14725 |
| Heavy Atoms | 34 |
| Complexity | 1181.4125 |
Chemical Identifiers
| CAS Number | 1005178-29-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)F)F)C(=O)OCC5CCCO5 |
Product Overview
(tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 1005178-29-9), with molecular formula C26H25F2NO4S and molecular weight 485.15 g/mol. IUPAC: oxolan-2-ylmethyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 5.1101 indicates that (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-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 (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 1005178-29-9.
What is the molecular formula of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C26H25F2NO4S.
What is the molecular weight of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 485.15 g/mol.
Where can I buy (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-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 (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (tetrahydrofuran-2-yl)methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.