![2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/4972/497228-61-2.webp)
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 497228-61-2) is a chemical compound with molecular formula C25H22N2O3S3 and molecular weight 494.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12,12-dimethyl-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6,6-dimethyl-3-phenyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6,6-dimethyl-3-phenyl-5,8-dihydrothiopyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C25H22N2O3S3 |
|---|---|
| Molecular Weight | 494.08 g/mol |
| LogP | 6.0361 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.07925 |
| Heavy Atoms | 33 |
| Complexity | 1426.6041 |
Chemical Identifiers
| CAS Number | 497228-61-2 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C |
Product Overview
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 497228-61-2), with molecular formula C25H22N2O3S3 and molecular weight 494.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12,12-dimethyl-4-phenyl-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-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 6.0361 indicates that 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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 53.35 Ų, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 497228-61-2.
What is the molecular formula of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C25H22N2O3S3.
What is the molecular weight of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 494.08 g/mol.
Where can I buy 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-phenyl-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.