![2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide structure](/static/products/799/799807-94-6.png)
2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
TL;DR: 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide (CAS 799807-94-6) is a chemical compound with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide, 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 3.5758 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 1034.0872 |
Chemical Identifiers
| CAS Number | 799807-94-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC(=O)NCCC4=CC=CC=C4)C |
Product Overview
2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide (CAS 799807-94-6), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
Property Insights of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
The XLogP value of 3.5758 indicates that 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide has 2 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-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The CAS number of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is 799807-94-6.
What is the molecular formula of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The molecular formula of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is C21H24N4O2S2.
What is the molecular weight of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The molecular weight of 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is 428.13 g/mol.
Where can I buy 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
You can request a quote for 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.