6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide
TL;DR: 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide (CAS 422288-11-7) is a chemical compound with molecular formula C17H22BrN3O2S and molecular weight 411.06 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-propan-2-ylhexanamide
Also Known As: 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-ylhexanamide, F0921-6763, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(propan-2-yl)hexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-yl-hexanamide
| Molecular Formula | C17H22BrN3O2S |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 3.90659 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.0616 |
| Heavy Atoms | 24 |
| Complexity | 841.825 |
Chemical Identifiers
| CAS Number | 422288-11-7 |
|---|---|
| SMILES | CC(C)NC(=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-isopropylhexanamide (CAS 422288-11-7), with molecular formula C17H22BrN3O2S and molecular weight 411.06 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-ylhexanamide.
Chemical Property Profile of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide
Property Insights of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide
The XLogP value of 3.90659 indicates that 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide 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-isopropylhexanamide. Following Lipinski's Rule of Five, 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide 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-isopropylhexanamide?
The CAS number of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide is 422288-11-7.
What is the molecular formula of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide?
The molecular formula of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide is C17H22BrN3O2S.
What is the molecular weight of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide?
The molecular weight of 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide is 411.06 g/mol.
Where can I buy 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide?
You can request a quote for 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide 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-isopropylhexanamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-isopropylhexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.