4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide
TL;DR: 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide (CAS 616214-40-5) is a chemical compound with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide
Also Known As: 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide, 4-bromo-N-(1,2,3,4-tetrahydroquinoline-1-carbonothioyl)benzamide, 4-bromo-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide, 4-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide, AF-399/41704864
| Molecular Formula | C17H15BrN2OS |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 3.9166 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.00885 |
| Heavy Atoms | 22 |
| Complexity | 714.8538 |
Chemical Identifiers
| CAS Number | 616214-40-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide (CAS 616214-40-5), with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol. IUPAC: 4-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide.
Chemical Property Profile of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide
Property Insights of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide
The XLogP value of 3.9166 indicates that 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide?
The CAS number of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide is 616214-40-5.
What is the molecular formula of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide?
The molecular formula of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide is C17H15BrN2OS.
What is the molecular weight of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide?
The molecular weight of 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide is 374.01 g/mol.
Where can I buy 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide?
You can request a quote for 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)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-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(3,4-dihydroquinolin-1(2H)-ylcarbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.