![tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate structure](/static/products/4452/445260-09-3.webp)
tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
TL;DR: tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate (CAS 445260-09-3) is a chemical compound with molecular formula C26H28BrN3O3 and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
Also Known As: tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate, tert-butyl 4-{[6-bromo-2-(3-methylphenyl)-4-quinolinyl]carbonyl}-1-piperazinecarboxylate, tert-butyl 4-(6-bromo-2-(m-tolyl)quinoline-4-carbonyl)piperazine-1-carboxylate, tert-butyl 4-{[6-bromo-2-(3-methylphenyl)-4-quinolyl]carbonyl}piperazinecarbox ylate, tert-butyl 4-{[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
| Molecular Formula | C26H28BrN3O3 |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 5.66562 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.1314 |
| Heavy Atoms | 33 |
| Complexity | 1211.1179 |
Chemical Identifiers
| CAS Number | 445260-09-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate (CAS 445260-09-3), with molecular formula C26H28BrN3O3 and molecular weight 509.13 g/mol. IUPAC: tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate.
Chemical Property Profile of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
Property Insights of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
The XLogP value of 5.66562 indicates that tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate?
The CAS number of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate is 445260-09-3.
What is the molecular formula of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate?
The molecular formula of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate is C26H28BrN3O3.
What is the molecular weight of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate?
The molecular weight of tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate is 509.13 g/mol.
Where can I buy tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate?
You can request a quote for tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.