![3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one structure](/static/products/7224/722465-84-1.webp)
3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 722465-84-1) is a chemical compound with molecular formula C16H8F6N2OS and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-(2,5-Bis-trifluoromethyl-phenyl)-2-mercapto-3H-quinazolin-4-one, 3-[2,5-bis(trifluoromethyl)phenyl]-2-thioxo-1H-quinazolin-4-one, C16H8F6N2OS
| Molecular Formula | C16H8F6N2OS |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 5.08589 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.02615 |
| Heavy Atoms | 26 |
| Complexity | 1110.6389 |
Chemical Identifiers
| CAS Number | 722465-84-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 722465-84-1), with molecular formula C16H8F6N2OS and molecular weight 390.03 g/mol. IUPAC: 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 5.08589 indicates that 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-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, 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is 722465-84-1.
What is the molecular formula of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is C16H8F6N2OS.
What is the molecular weight of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one is 390.03 g/mol.
Where can I buy 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2,5-Bis(trifluoromethyl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.