2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
TL;DR: 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate (CAS 354770-31-3) is a chemical compound with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
Also Known As: 2-methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate, isobutyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate, isobutyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
| Molecular Formula | C21H20BrNO2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.78552 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.06775 |
| Heavy Atoms | 25 |
| Complexity | 917.0774 |
Chemical Identifiers
| CAS Number | 354770-31-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(C)C)C3=CC=C(C=C3)Br |
Product Overview
2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate (CAS 354770-31-3), with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol. IUPAC: 2-methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate.
Chemical Property Profile of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
Property Insights of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
The XLogP value of 5.78552 indicates that 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate 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 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate?
The CAS number of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate is 354770-31-3.
What is the molecular formula of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate?
The molecular formula of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate is C21H20BrNO2.
What is the molecular weight of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate?
The molecular weight of 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate is 397.07 g/mol.
Where can I buy 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate?
You can request a quote for 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.