2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate
TL;DR: 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate (CAS 355826-41-4) is a chemical compound with molecular formula C20H17BrClNO2 and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate
Also Known As: 2-methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate, isobutyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate, 2-methylpropyl 2-(4-bromophenyl)-6-chloro-quinoline-4-carboxylate, ISOBUTYL 2-(4-BROMOPHENYL)-6-CHLORO-4-QUINOLINECARBOXYLATE
| Molecular Formula | C20H17BrClNO2 |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 6.1305 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.01312 |
| Heavy Atoms | 25 |
| Complexity | 922.8775 |
Chemical Identifiers
| CAS Number | 355826-41-4 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Br |
Product Overview
2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate (CAS 355826-41-4), with molecular formula C20H17BrClNO2 and molecular weight 417.01 g/mol. IUPAC: 2-methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate.
Chemical Property Profile of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate
Property Insights of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate
The XLogP value of 6.1305 indicates that 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-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-chloroquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-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-chloroquinoline-4-carboxylate?
The CAS number of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate is 355826-41-4.
What is the molecular formula of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate?
The molecular formula of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate is C20H17BrClNO2.
What is the molecular weight of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate?
The molecular weight of 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate is 417.01 g/mol.
Where can I buy 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate?
You can request a quote for 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-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-chloroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.