![2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE structure](/static/products/351/351338-46-0.png)
2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
TL;DR: 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 351338-46-0) is a chemical compound with molecular formula C24H28N2OS2 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-tert-butyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 2-(allylthio)-3-benzyl-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-7-tert-butyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-7-tert-butyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H28N2OS2 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 5.9354 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1643 |
| Heavy Atoms | 29 |
| Complexity | 1089.9966 |
Chemical Identifiers
| CAS Number | 351338-46-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4 |
Product Overview
2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 351338-46-0), with molecular formula C24H28N2OS2 and molecular weight 424.16 g/mol. IUPAC: 3-benzyl-7-tert-butyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Property Insights of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
The XLogP value of 5.9354 indicates that 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-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, 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-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 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The CAS number of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 351338-46-0.
What is the molecular formula of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular formula of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is C24H28N2OS2.
What is the molecular weight of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular weight of 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 424.16 g/mol.
Where can I buy 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
You can request a quote for 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-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 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
Yes, KEHONG BIO provides custom synthesis services for 2-(ALLYLSULFANYL)-3-BENZYL-7-(TERT-BUTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.