Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate
TL;DR: Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate (CAS 488133-05-7) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-thiophen-2-ylquinoline-4-carboxylate
Also Known As: isobutyl 2-(2-thienyl)-4-quinolinecarboxylate, 2-methylpropyl 2-thiophen-2-ylquinoline-4-carboxylate, AB01293489-01, 2-methylpropyl 2-(thiophen-2-yl)quinoline-4-carboxylate, isobutyl 2-(thiophen-2-yl)quinoline-4-carboxylate
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.7761 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 793.96216 |
Chemical Identifiers
| CAS Number | 488133-05-7 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3 |
Product Overview
Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate (CAS 488133-05-7), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 2-methylpropyl 2-thiophen-2-ylquinoline-4-carboxylate.
Chemical Property Profile of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate
Property Insights of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate
The XLogP value of 4.7761 indicates that Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate has 0 hydrogen bond donor(s) and 4 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 Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate?
The CAS number of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate is 488133-05-7.
What is the molecular formula of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate?
The molecular formula of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate is C18H17NO2S.
What is the molecular weight of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate?
The molecular weight of Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate is 311.10 g/mol.
Where can I buy Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate?
You can request a quote for Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-(2-thienyl)-4-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.