3-Tert-butylquinazolin-4-one
TL;DR: 3-Tert-butylquinazolin-4-one (CAS 113260-96-1) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butylquinazolin-4-one
Also Known As: 3-tert-butylquinazolin-4-one, 3-(1,1-dimethylethyl)quinazolin-4-one
Technical Specifications
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.11061 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 Da |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
| SMILES | CC(C)(C)N1C=NC2=CC=CC=C2C1=O |
| InChIKey | RHIUXFJPXJOQMK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Tert-butylquinazolin-4-one
Property Insights of 3-Tert-butylquinazolin-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butylquinazolin-4-one. With a topological polar surface area (TPSA) of 32.7 Ų, 3-Tert-butylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylquinazolin-4-one has 0 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-Tert-butylquinazolin-4-one?
The CAS number of 3-Tert-butylquinazolin-4-one is 113260-96-1.
What is the molecular formula of 3-Tert-butylquinazolin-4-one?
The molecular formula of 3-Tert-butylquinazolin-4-one is C12H14N2O.
What is the molecular weight of 3-Tert-butylquinazolin-4-one?
The molecular weight of 3-Tert-butylquinazolin-4-one is 202.11061 g/mol.
Where can I buy 3-Tert-butylquinazolin-4-one?
You can request a quote for 3-Tert-butylquinazolin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Tert-butylquinazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Tert-butylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.