![3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one structure](/static/products/369/369605-50-5.png)
3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
TL;DR: 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 369605-50-5) is a chemical compound with molecular formula C20H22N2OS and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-prop-2-enyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one
Also Known As: 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 5,5-dimethyl-3-prop-2-enyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one, 5,5-dimethyl-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
| Molecular Formula | C20H22N2OS |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.2081 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1453 |
| Heavy Atoms | 24 |
| Complexity | 864.428 |
Chemical Identifiers
| CAS Number | 369605-50-5 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC=C)C |
Product Overview
3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 369605-50-5), with molecular formula C20H22N2OS and molecular weight 338.15 g/mol. IUPAC: 5,5-dimethyl-3-prop-2-enyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Property Insights of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
The XLogP value of 4.2081 indicates that 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-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-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-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-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The CAS number of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 369605-50-5.
What is the molecular formula of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular formula of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is C20H22N2OS.
What is the molecular weight of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular weight of 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 338.15 g/mol.
Where can I buy 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
You can request a quote for 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-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 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-(allylthio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.