![2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/799/799825-06-2.png)
2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 799825-06-2) is a chemical compound with molecular formula C24H30N2O4S2 and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2-diethoxyethylsulfanyl)-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(2,2-diethoxyethyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H30N2O4S2 |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 5.09812 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.1647 |
| Heavy Atoms | 32 |
| Complexity | 1145.501 |
Chemical Identifiers
| CAS Number | 799825-06-2 |
|---|---|
| SMILES | CCOC(CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=C(C=C4)C)OCC |
Product Overview
2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 799825-06-2), with molecular formula C24H30N2O4S2 and molecular weight 474.16 g/mol. IUPAC: 5-(2,2-diethoxyethylsulfanyl)-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.09812 indicates that 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[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. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-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-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 799825-06-2.
What is the molecular formula of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C24H30N2O4S2.
What is the molecular weight of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 474.16 g/mol.
Where can I buy 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[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-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,2-diethoxyethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[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.