6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 16760-49-9) is a chemical compound with molecular formula C14H8Br2N2OS and molecular weight 409.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: NCI60_013206, 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6,8-dibromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one, 6,8-dibromo-3-phenyl-2-thioxo-1H-quinazolin-4-one, 6,8-dibromo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C14H8Br2N2OS |
|---|---|
| Molecular Weight | 409.87 g/mol |
| LogP | 4.57329 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 409.8724 |
| Heavy Atoms | 20 |
| Complexity | 916.0906 |
Chemical Identifiers
| CAS Number | 16760-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)NC2=S |
Product Overview
6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 16760-49-9), with molecular formula C14H8Br2N2OS and molecular weight 409.87 g/mol. IUPAC: 6,8-dibromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 4.57329 indicates that 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 2 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 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 16760-49-9.
What is the molecular formula of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C14H8Br2N2OS.
What is the molecular weight of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 409.87 g/mol.
Where can I buy 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dibromo-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.