![2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide structure](/static/products/4967/496798-25-5.webp)
2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide
TL;DR: 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide (CAS 496798-25-5) is a chemical compound with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-methyl-N-phenylacetamide
Also Known As: 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide, 2-[[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenylacetamide, 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylacetamide
| Molecular Formula | C27H27N3O3S2 |
|---|---|
| Molecular Weight | 505.15 g/mol |
| LogP | 5.36202 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.14938 |
| Heavy Atoms | 35 |
| Complexity | 1474.5558 |
Chemical Identifiers
| CAS Number | 496798-25-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)N(C)C4=CC=CC=C4)SC5=C3CC(OC5)(C)C |
Product Overview
2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide (CAS 496798-25-5), with molecular formula C27H27N3O3S2 and molecular weight 505.15 g/mol. IUPAC: 2-[[12,12-dimethyl-4-(3-methylphenyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-methyl-N-phenylacetamide.
Chemical Property Profile of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide
Property Insights of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide
The XLogP value of 5.36202 indicates that 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide 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-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide?
The CAS number of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide is 496798-25-5.
What is the molecular formula of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide?
The molecular formula of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide is C27H27N3O3S2.
What is the molecular weight of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide?
The molecular weight of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide is 505.15 g/mol.
Where can I buy 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide?
You can request a quote for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-methyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.