![2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide structure](/static/products/4887/488793-82-4.webp)
2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
TL;DR: 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 488793-82-4) is a chemical compound with molecular formula C21H22N4O2S3 and molecular weight 458.09 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-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide, 2-[(6,6-dimethyl-4-oxo-3-prop-2-enyl-5,8-dihydrothiopyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide, 2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
| Molecular Formula | C21H22N4O2S3 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 4.3377 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.09048 |
| Heavy Atoms | 30 |
| Complexity | 1168.4485 |
Chemical Identifiers
| CAS Number | 488793-82-4 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=N4)CC=C)C |
Product Overview
2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 488793-82-4), with molecular formula C21H22N4O2S3 and molecular weight 458.09 g/mol. IUPAC: 2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
Property Insights of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide
The XLogP value of 4.3377 indicates that 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)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-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The CAS number of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is 488793-82-4.
What is the molecular formula of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular formula of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is C21H22N4O2S3.
What is the molecular weight of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular weight of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide is 458.09 g/mol.
Where can I buy 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
You can request a quote for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.