6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide
TL;DR: 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide (CAS 422288-12-8) is a chemical compound with molecular formula C18H24BrN3O2S and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylhexanamide
Also Known As: 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide, F0921-6764, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-butylhexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylhexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butyl-hexanamide
| Molecular Formula | C18H24BrN3O2S |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 4.29829 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.07727 |
| Heavy Atoms | 25 |
| Complexity | 844.31055 |
Chemical Identifiers
| CAS Number | 422288-12-8 |
|---|---|
| SMILES | CCCCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S |
Product Overview
6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide (CAS 422288-12-8), with molecular formula C18H24BrN3O2S and molecular weight 425.08 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylhexanamide.
Chemical Property Profile of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide
Property Insights of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide
The XLogP value of 4.29829 indicates that 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide 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 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide. Following Lipinski's Rule of Five, 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide 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 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide?
The CAS number of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide is 422288-12-8.
What is the molecular formula of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide?
The molecular formula of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide is C18H24BrN3O2S.
What is the molecular weight of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide?
The molecular weight of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide is 425.08 g/mol.
Where can I buy 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide?
You can request a quote for 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-butylhexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.