6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone
TL;DR: 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone (CAS 18009-08-0) is a chemical compound with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone, 6-bromo-3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 6-Bromo-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C15H11BrN2OS |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.97754 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 18009-08-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
| InChIKey | LYJAXRBGBAECSM-UHFFFAOYSA-N |
Product Overview
6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone (CAS 18009-08-0), with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol. IUPAC: 6-bromo-3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone
Property Insights of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone
The XLogP value of 3.8 indicates that 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone. Following Lipinski's Rule of Five, 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone 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-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone?
The CAS number of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone is 18009-08-0.
What is the molecular formula of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone?
The molecular formula of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone is C15H11BrN2OS.
What is the molecular weight of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone?
The molecular weight of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone is 345.98 g/mol.
Where can I buy 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone?
You can request a quote for 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.