N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
TL;DR: N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (CAS 422288-26-4) is a chemical compound with molecular formula C21H22BrN3O2S and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: VU0113332-2, F3168-1862, N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide, N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide, N-benzyl-6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
| Molecular Formula | C21H22BrN3O2S |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 4.69839 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.0616 |
| Heavy Atoms | 28 |
| Complexity | 1076.4412 |
Chemical Identifiers
| CAS Number | 422288-26-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide (CAS 422288-26-4), with molecular formula C21H22BrN3O2S and molecular weight 459.06 g/mol. IUPAC: N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Property Insights of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
The XLogP value of 4.69839 indicates that N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide. Following Lipinski's Rule of Five, N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide has 2 hydrogen bond donor(s) and 3 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 N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The CAS number of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is 422288-26-4.
What is the molecular formula of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The molecular formula of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is C21H22BrN3O2S.
What is the molecular weight of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
The molecular weight of N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide is 459.06 g/mol.
Where can I buy N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
You can request a quote for N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.