![5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one structure](/static/products/313/313702-80-6.png)
5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one
TL;DR: 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one (CAS 313702-80-6) is a chemical compound with molecular formula C25H28N2OS and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5,5-diethyl-2-ethylsulfanyl-6H-benzo[h]quinazolin-4-one
Also Known As: BAS 01579422, 3-benzyl-5,5-diethyl-2-ethylsulfanyl-6H-benzo[h]quinazolin-4-one, 5,5-diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one, 3-BENZYL-5,5-DIETHYL-2-(ETHYLSULFANYL)-3H,4H,5H,6H-BENZO[H]QUINAZOLIN-4-ONE, 3-benzyl-5,5-diethyl-2-(ethylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
| Molecular Formula | C25H28N2OS |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 5.6845 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.19223 |
| Heavy Atoms | 29 |
| Complexity | 1067.9266 |
Chemical Identifiers
| CAS Number | 313702-80-6 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC)CC4=CC=CC=C4)CC |
Product Overview
5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one (CAS 313702-80-6), with molecular formula C25H28N2OS and molecular weight 404.19 g/mol. IUPAC: 3-benzyl-5,5-diethyl-2-ethylsulfanyl-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one
Property Insights of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one
The XLogP value of 5.6845 indicates that 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-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, 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-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 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one?
The CAS number of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one is 313702-80-6.
What is the molecular formula of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one?
The molecular formula of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one is C25H28N2OS.
What is the molecular weight of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one?
The molecular weight of 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one is 404.19 g/mol.
Where can I buy 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one?
You can request a quote for 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]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 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyl-2-ethylthio-3-benzyl-3,5,6-trihydrobenzo[h]quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.