![2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/488/488136-03-4.png)
2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 488136-03-4) is a chemical compound with molecular formula C25H24N2OS3 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-12,12-dimethyl-4-(4-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(benzylthio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C25H24N2OS3 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 6.61582 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.10507 |
| Heavy Atoms | 31 |
| Complexity | 1304.8524 |
Chemical Identifiers
| CAS Number | 488136-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CC(SC5)(C)C |
Product Overview
2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 488136-03-4), with molecular formula C25H24N2OS3 and molecular weight 464.11 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-4-(4-methylphenyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 6.61582 indicates that 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-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, 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 488136-03-4.
What is the molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C25H24N2OS3.
What is the molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 464.11 g/mol.
Where can I buy 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.