3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one (CAS 19062-31-8) is a chemical compound with molecular formula C14H8F2N2OS and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-difluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: Maybridge1_002842, DivK1c_001594, 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one, CDS1_000554, 3-(2,4-difluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
| Molecular Formula | C14H8F2N2OS |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.03253 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 19062-31-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=C(C=C(C=C3)F)F |
| InChIKey | VBIFMXMAMULTFS-UHFFFAOYSA-N |
Product Overview
3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one (CAS 19062-31-8), with molecular formula C14H8F2N2OS and molecular weight 290.03 g/mol. IUPAC: 3-(2,4-difluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one
The XLogP value of 3.0 indicates that 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one 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 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one has 1 hydrogen bond donor(s) and 4 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 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one is 19062-31-8.
What is the molecular formula of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one is C14H8F2N2OS.
What is the molecular weight of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one is 290.03 g/mol.
Where can I buy 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-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-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Difluoro-phenyl)-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.