![2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide structure](/static/products/498/498570-39-1.png)
2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 498570-39-1) is a chemical compound with molecular formula C24H23N3O3S3 and molecular weight 497.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C24H23N3O3S3 |
|---|---|
| Molecular Weight | 497.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.09015 |
| Heavy Atoms | 33 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 498570-39-1 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C5=CC=CC=C5)C |
| InChIKey | WOIRLRMNXMMSBX-UHFFFAOYSA-N |
Product Overview
2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 498570-39-1), with molecular formula C24H23N3O3S3 and molecular weight 497.09 g/mol. IUPAC: 2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 4.5 indicates that 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide has 1 hydrogen bond donor(s) and 7 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-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide is 498570-39-1.
What is the molecular formula of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide is C24H23N3O3S3.
What is the molecular weight of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide is 497.09 g/mol.
Where can I buy 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide 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-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.