![3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one structure](/static/products/352/352702-54-6.png)
3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
TL;DR: 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 352702-54-6) is a chemical compound with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
Also Known As: 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one, 2-[2-(4-chlorophenyl)-2-oxoethylthio]-5,5-dimethyl-3-prop-2-enyl-3,5,6-trihydr obenzo[h]quinazolin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 3-allyl-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
| Molecular Formula | C25H23ClN2O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.5584 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.11688 |
| Heavy Atoms | 31 |
| Complexity | 1229.2596 |
Chemical Identifiers
| CAS Number | 352702-54-6 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC=C)C |
Product Overview
3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 352702-54-6), with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Property Insights of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
The XLogP value of 5.5584 indicates that 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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 51.96 Ų, 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The CAS number of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 352702-54-6.
What is the molecular formula of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular formula of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is C25H23ClN2O2S.
What is the molecular weight of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular weight of 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 450.12 g/mol.
Where can I buy 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
You can request a quote for 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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.