4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide
TL;DR: 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide (CAS 348131-71-5) is a chemical compound with molecular formula C21H21BrN2O2S and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide
Also Known As: 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide, 4-bromo-N-(6-methoxy-2,2,4-trimethyl-quinoline-1-carbothioyl)benzamide, 4-bromo-N-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline-1-carbonothioyl)benzamide, 4-bromo-N-[(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)carbonothioyl]benzamide
| Molecular Formula | C21H21BrN2O2S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 5.1745 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.05072 |
| Heavy Atoms | 27 |
| Complexity | 935.6978 |
Chemical Identifiers
| CAS Number | 348131-71-5 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC)C(=S)NC(=O)C3=CC=C(C=C3)Br)(C)C |
Product Overview
4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide (CAS 348131-71-5), with molecular formula C21H21BrN2O2S and molecular weight 444.05 g/mol. IUPAC: 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide.
Chemical Property Profile of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide
Property Insights of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide
The XLogP value of 5.1745 indicates that 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide has 1 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 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide?
The CAS number of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide is 348131-71-5.
What is the molecular formula of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide?
The molecular formula of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide is C21H21BrN2O2S.
What is the molecular weight of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide?
The molecular weight of 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide is 444.05 g/mol.
Where can I buy 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide?
You can request a quote for 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(6-methoxy-2,2,4-trimethylquinoline-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.