![Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate structure](/static/products/4450/445031-06-1.webp)
Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate
TL;DR: Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate (CAS 445031-06-1) is a chemical compound with molecular formula C29H27BrN2O3 and molecular weight 530.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate
Also Known As: butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate, butyl 4-({[6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)benzoate, butyl 4-(6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxamido)benzoate, butyl 4-{[2-(3,4-dimethylphenyl)-6-bromo-4-quinolyl]carbonylamino}benzoate, butyl 4-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)benzoate
| Molecular Formula | C29H27BrN2O3 |
|---|---|
| Molecular Weight | 530.12 g/mol |
| LogP | 7.49034 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1205 |
| Heavy Atoms | 35 |
| Complexity | 1397.4689 |
Chemical Identifiers
| CAS Number | 445031-06-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C |
Product Overview
Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate (CAS 445031-06-1), with molecular formula C29H27BrN2O3 and molecular weight 530.12 g/mol. IUPAC: butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate.
Chemical Property Profile of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate
Property Insights of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate
The XLogP value of 7.49034 indicates that Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate has 1 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 Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate?
The CAS number of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate is 445031-06-1.
What is the molecular formula of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate?
The molecular formula of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate is C29H27BrN2O3.
What is the molecular weight of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate?
The molecular weight of Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate is 530.12 g/mol.
Where can I buy Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate?
You can request a quote for Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.