2-Mercapto-3-phenylquinazolin-4(3H)-one
TL;DR: 2-Mercapto-3-phenylquinazolin-4(3H)-one (CAS 2400-99-9) is a chemical compound with molecular formula C14H10N2OS and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: PDE7 inhibitor S14, 2-Mercapto-3-phenyl-3H-quinazolin-4-one, 2-mercapto-3-phenylquinazolin-4(3H)-one, 3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, PDE7-IN-4
| Molecular Formula | C14H10N2OS |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.05139 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 2400-99-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S |
| InChIKey | CRGOYNYLYMPGKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-3-phenylquinazolin-4(3H)-one (CAS 2400-99-9), with molecular formula C14H10N2OS and molecular weight 254.05 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-Mercapto-3-phenylquinazolin-4(3H)-one
Property Insights of 2-Mercapto-3-phenylquinazolin-4(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-phenylquinazolin-4(3H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-phenylquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-Mercapto-3-phenylquinazolin-4(3H)-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 2-Mercapto-3-phenylquinazolin-4(3H)-one?
The CAS number of 2-Mercapto-3-phenylquinazolin-4(3H)-one is 2400-99-9.
What is the molecular formula of 2-Mercapto-3-phenylquinazolin-4(3H)-one?
The molecular formula of 2-Mercapto-3-phenylquinazolin-4(3H)-one is C14H10N2OS.
What is the molecular weight of 2-Mercapto-3-phenylquinazolin-4(3H)-one?
The molecular weight of 2-Mercapto-3-phenylquinazolin-4(3H)-one is 254.05 g/mol.
Where can I buy 2-Mercapto-3-phenylquinazolin-4(3H)-one?
You can request a quote for 2-Mercapto-3-phenylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-phenylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-phenylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.