4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide
TL;DR: 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide (CAS 422287-93-2) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 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-phenylethyl)butanamide
Also Known As: VU0079788-2, F3168-1840, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2-phenylethyl)butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylbutanamide
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 3.96069 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 1060.2501 |
Chemical Identifiers
| CAS Number | 422287-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide (CAS 422287-93-2), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-phenylethyl)butanamide.
Chemical Property Profile of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide
Property Insights of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide
The XLogP value of 3.96069 indicates that 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide 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-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide. Following Lipinski's Rule of Five, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide 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-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The CAS number of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide is 422287-93-2.
What is the molecular formula of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The molecular formula of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide is C20H20BrN3O2S.
What is the molecular weight of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The molecular weight of 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide is 445.05 g/mol.
Where can I buy 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide?
You can request a quote for 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide 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-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-phenethylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.