2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone
TL;DR: 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone (CAS 82382-19-2) is a chemical compound with molecular formula C15H9F3N2OS and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
Also Known As: Maybridge4_003577, 2-mercapto-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one, 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone, 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one, 2-Mercapto-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
| Molecular Formula | C15H9F3N2OS |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 4.06709 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.03876 |
| Heavy Atoms | 22 |
| Complexity | 972.664 |
Chemical Identifiers
| CAS Number | 82382-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone (CAS 82382-19-2), with molecular formula C15H9F3N2OS and molecular weight 322.04 g/mol. IUPAC: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one.
Chemical Property Profile of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone
Property Insights of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone
The XLogP value of 4.06709 indicates that 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-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 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone?
The CAS number of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone is 82382-19-2.
What is the molecular formula of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone?
The molecular formula of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone is C15H9F3N2OS.
What is the molecular weight of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone?
The molecular weight of 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone is 322.04 g/mol.
Where can I buy 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone?
You can request a quote for 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-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 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydro-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.