![5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one structure](/static/products/499/499210-98-9.png)
5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
TL;DR: 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 499210-98-9) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-6H-benzo[h]quinazolin-4-one
Also Known As: 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 5-ethyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-6H-benzo[h]quinazolin-4-one, 5-ethyl-5-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 5.7915 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 1133.3054 |
Chemical Identifiers
| CAS Number | 499210-98-9 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=C)C)C4=CC=CC=C4)C |
Product Overview
5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one (CAS 499210-98-9), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 5-ethyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Property Insights of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
The XLogP value of 5.7915 indicates that 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-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, 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The CAS number of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 499210-98-9.
What is the molecular formula of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular formula of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is C25H26N2OS.
What is the molecular weight of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
The molecular weight of 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one is 402.18 g/mol.
Where can I buy 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
You can request a quote for 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-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 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-5-methyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.