![2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/488/488794-62-3.png)
2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 488794-62-3) is a chemical compound with molecular formula C26H26N2O2S3 and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylsulfanyl]-12,12-dimethyl-4-(3-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-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H26N2O2S3 |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 6.62442 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.11563 |
| Heavy Atoms | 33 |
| Complexity | 1387.427 |
Chemical Identifiers
| CAS Number | 488794-62-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)OC)SC5=C3CC(SC5)(C)C |
Product Overview
2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 488794-62-3), with molecular formula C26H26N2O2S3 and molecular weight 494.12 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylsulfanyl]-12,12-dimethyl-4-(3-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-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.62442 indicates that 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 488794-62-3.
What is the molecular formula of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C26H26N2O2S3.
What is the molecular weight of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 494.12 g/mol.
Where can I buy 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methoxybenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.