2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate
TL;DR: 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate (CAS 433952-49-9) is a chemical compound with molecular formula C17H13NO3S and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) 2-methylquinoline-4-carboxylate
Also Known As: TimTec1_007195, BAS 04999722, 2-oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate, (2-oxo-2-thiophen-2-ylethyl) 2-methylquinoline-4-carboxylate, (2-thenoyl)methyl 2-methyl-4-quinolinecarboxylate
| Molecular Formula | C17H13NO3S |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 3.64442 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0616 |
| Heavy Atoms | 22 |
| Complexity | 840.24115 |
Chemical Identifiers
| CAS Number | 433952-49-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CS3 |
Product Overview
2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate (CAS 433952-49-9), with molecular formula C17H13NO3S and molecular weight 311.06 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 2-methylquinoline-4-carboxylate.
Chemical Property Profile of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate
Property Insights of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate
The XLogP value of 3.64442 indicates that 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate has 0 hydrogen bond donor(s) and 5 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 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate?
The CAS number of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate is 433952-49-9.
What is the molecular formula of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate?
The molecular formula of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate is C17H13NO3S.
What is the molecular weight of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate?
The molecular weight of 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate is 311.06 g/mol.
Where can I buy 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate?
You can request a quote for 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.