N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide (CAS 445023-58-5) is a chemical compound with molecular formula C27H23BrN2O3 and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide, N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)-4-quinolinecarboxamide, N-benzo[1,3]dioxol-5-yl-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl){2-[4-(tert-butyl)phenyl]-6-bromo(4-quinol yl)}carboxamide
| Molecular Formula | C27H23BrN2O3 |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 6.9428 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 502.0892 |
| Heavy Atoms | 33 |
| Complexity | 1375.0135 |
Chemical Identifiers
| CAS Number | 445023-58-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide (CAS 445023-58-5), with molecular formula C27H23BrN2O3 and molecular weight 502.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide
The XLogP value of 6.9428 indicates that N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide 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 N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide is 445023-58-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide is C27H23BrN2O3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide is 502.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.