3-Benzyl-2-butylsulfanylquinazolin-4-one
TL;DR: 3-Benzyl-2-butylsulfanylquinazolin-4-one (CAS 331971-97-2) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-butylsulfanylquinazolin-4-one
Also Known As: 3-benzyl-2-butylsulfanylquinazolin-4-one, BIM-0017086.P001, 3-benzyl-2-(butylthio)quinazolin-4(3H)-one, 3-benzyl-2-(butylsulfanyl)quinazolin-4(3H)-one, AB00094922-01
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.337 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 842.8626 |
Chemical Identifiers
| CAS Number | 331971-97-2 |
|---|---|
| SMILES | CCCCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 |
Product Overview
3-Benzyl-2-butylsulfanylquinazolin-4-one (CAS 331971-97-2), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: 3-benzyl-2-butylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-Benzyl-2-butylsulfanylquinazolin-4-one
Property Insights of 3-Benzyl-2-butylsulfanylquinazolin-4-one
The XLogP value of 4.337 indicates that 3-Benzyl-2-butylsulfanylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-Benzyl-2-butylsulfanylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-butylsulfanylquinazolin-4-one has 0 hydrogen bond donor(s) and 3 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-Benzyl-2-butylsulfanylquinazolin-4-one?
The CAS number of 3-Benzyl-2-butylsulfanylquinazolin-4-one is 331971-97-2.
What is the molecular formula of 3-Benzyl-2-butylsulfanylquinazolin-4-one?
The molecular formula of 3-Benzyl-2-butylsulfanylquinazolin-4-one is C19H20N2OS.
What is the molecular weight of 3-Benzyl-2-butylsulfanylquinazolin-4-one?
The molecular weight of 3-Benzyl-2-butylsulfanylquinazolin-4-one is 324.13 g/mol.
Where can I buy 3-Benzyl-2-butylsulfanylquinazolin-4-one?
You can request a quote for 3-Benzyl-2-butylsulfanylquinazolin-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-Benzyl-2-butylsulfanylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-butylsulfanylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.