6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 18009-15-9) is a chemical compound with molecular formula C9H7BrN2OS and molecular weight 269.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-methyl-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-2-mercapto-3-methyl-4(3H)-quinazolinone, 6-bromo-3-methyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-BROMO-2-MERCAPTO-3-METHYLQUINAZOLIN-4(3H)-ONE
| Molecular Formula | C9H7BrN2OS |
|---|---|
| Molecular Weight | 269.95 g/mol |
| LogP | 2.35859 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.94626 |
| Heavy Atoms | 14 |
| Complexity | 614.21857 |
Chemical Identifiers
| CAS Number | 18009-15-9 |
|---|---|
| SMILES | CN1C(=O)C2=C(C=CC(=C2)Br)NC1=S |
Product Overview
6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 18009-15-9), with molecular formula C9H7BrN2OS and molecular weight 269.95 g/mol. IUPAC: 6-bromo-3-methyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.35859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 6-Bromo-3-methyl-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-Bromo-3-methyl-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-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 18009-15-9.
What is the molecular formula of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C9H7BrN2OS.
What is the molecular weight of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 269.95 g/mol.
Where can I buy 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 6-Bromo-3-methyl-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-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.