![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,N-diethylacetamide structure](/static/products/488/488131-44-8.png)
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,N-diethylacetamide
TL;DR: 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,N-diethylacetamide (CAS 488131-44-8) is a chemical compound with molecular formula C24H29N3O3S2 and molecular weight 471.17 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,N-diethylacetamide
Also Known As: 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,N-diethylacetamide, 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,N-diethylacetamide
| Molecular Formula | C24H29N3O3S2 |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.56742 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16504 |
| Heavy Atoms | 32 |
| Complexity | 1225.1879 |
Chemical Identifiers
| CAS Number | 488131-44-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC(=C4)C |
Product Overview
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,N-diethylacetamide (CAS 488131-44-8), with molecular formula C24H29N3O3S2 and molecular weight 471.17 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,N-diethylacetamide.
Chemical Property Profile of 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,N-diethylacetamide
Property Insights of 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,N-diethylacetamide
The XLogP value of 4.56742 indicates that 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,N-diethylacetamide 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-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,N-diethylacetamide. Following Lipinski's Rule of Five, 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,N-diethylacetamide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 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,N-diethylacetamide?
The CAS number of 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,N-diethylacetamide is 488131-44-8.
What is the molecular formula of 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,N-diethylacetamide?
The molecular formula of 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,N-diethylacetamide is C24H29N3O3S2.
What is the molecular weight of 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,N-diethylacetamide?
The molecular weight of 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,N-diethylacetamide is 471.17 g/mol.
Where can I buy 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,N-diethylacetamide?
You can request a quote for 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,N-diethylacetamide 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-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,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 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,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.