2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one
TL;DR: 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one (CAS 329709-06-0) is a chemical compound with molecular formula C19H18N2OS and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one
Also Known As: 2-benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one, 2-(benzylthio)-3-(2-methylallyl)quinazolin-4(3H)-one, 2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3,4-dihydroquinazolin-4-one, 2-(benzylsulfanyl)-3-(2-methyl-2-propenyl)-4(3H)-quinazolinone, 2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
| Molecular Formula | C19H18N2OS |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.11398 |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 329709-06-0 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3 |
| InChIKey | WPJVCOIOVVXCRN-UHFFFAOYSA-N |
Product Overview
2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one (CAS 329709-06-0), with molecular formula C19H18N2OS and molecular weight 322.11 g/mol. IUPAC: 2-benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one.
Chemical Property Profile of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one
Property Insights of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one
The XLogP value of 4.6 indicates that 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-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 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one?
The CAS number of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one is 329709-06-0.
What is the molecular formula of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one?
The molecular formula of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one is C19H18N2OS.
What is the molecular weight of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one?
The molecular weight of 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one is 322.11 g/mol.
Where can I buy 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one?
You can request a quote for 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)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 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-3-(2-methylprop-2-enyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.