Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate
TL;DR: Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate (CAS 355421-09-9) is a chemical compound with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Also Known As: isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate, 2-methylpropyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate, Isobutyl 6-chloro-2-(p-tolyl)quinoline-4-carboxylate, 632-044-7
| Molecular Formula | C21H20ClNO2 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 5.67642 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.11826 |
| Heavy Atoms | 25 |
| Complexity | 917.0774 |
Chemical Identifiers
| CAS Number | 355421-09-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(C)C |
Product Overview
Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate (CAS 355421-09-9), with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol. IUPAC: 2-methylpropyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate.
Chemical Property Profile of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate
Property Insights of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate
The XLogP value of 5.67642 indicates that Isobutyl 6-chloro-2-(4-methylphenyl)-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 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate?
The CAS number of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate is 355421-09-9.
What is the molecular formula of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate?
The molecular formula of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate is C21H20ClNO2.
What is the molecular weight of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate?
The molecular weight of Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate is 353.12 g/mol.
Where can I buy Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate?
You can request a quote for Isobutyl 6-chloro-2-(4-methylphenyl)-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 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.