4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
TL;DR: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide (CAS 439792-11-7) is a chemical compound with molecular formula C20H26BrN3O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
Also Known As: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide, F0921-6759, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2,3-dimethylcyclohexyl)butanamide
| Molecular Formula | C20H26BrN3O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.54269 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0929 |
| Heavy Atoms | 27 |
| Complexity | 952.37286 |
Chemical Identifiers
| CAS Number | 439792-11-7 |
|---|---|
| SMILES | CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide (CAS 439792-11-7), with molecular formula C20H26BrN3O2S and molecular weight 451.09 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide.
Chemical Property Profile of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
Property Insights of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide
The XLogP value of 4.54269 indicates that 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide 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 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide. Following Lipinski's Rule of Five, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide 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 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The CAS number of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide is 439792-11-7.
What is the molecular formula of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The molecular formula of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide is C20H26BrN3O2S.
What is the molecular weight of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
The molecular weight of 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide is 451.09 g/mol.
Where can I buy 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
You can request a quote for 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.