3-Butyl-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-Butyl-2-mercaptoquinazolin-4(3H)-one (CAS 13906-07-5) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: CAERULOMYCINA, 3-Butyl-2-mercaptoquinazolin-4(3H)-one, 3-Butyl-2-mercapto-3H-quinazolin-4-one, 3-butyl-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-butyl-2-sulfanylidene-1H-quinazolin-4-one
Technical Specifications
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.08269 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.08269 Da |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
| SMILES | CCCCN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | YIMVQTWMNLKAPM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyl-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-Butyl-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-2-mercaptoquinazolin-4(3H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-2-mercaptoquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-Butyl-2-mercaptoquinazolin-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
What is the CAS number of 3-Butyl-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-Butyl-2-mercaptoquinazolin-4(3H)-one is 13906-07-5.
What is the molecular formula of 3-Butyl-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-Butyl-2-mercaptoquinazolin-4(3H)-one is C12H14N2OS.
What is the molecular weight of 3-Butyl-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-Butyl-2-mercaptoquinazolin-4(3H)-one is 234.08269 g/mol.
Where can I buy 3-Butyl-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-Butyl-2-mercaptoquinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyl-2-mercaptoquinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-Butyl-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.