![2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide structure](/static/products/5855/585563-68-4.webp)
2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
TL;DR: 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide (CAS 585563-68-4) is a chemical compound with molecular formula C28H28N4O3S and molecular weight 500.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide, 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide, 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide, 2-[(8,8-dimethyl-4-oxo-3-phenyl-6,9-dihydropyrano[3,4]pyrido[3,5-b]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
| Molecular Formula | C28H28N4O3S |
|---|---|
| Molecular Weight | 500.19 g/mol |
| LogP | 4.083 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.1882 |
| Heavy Atoms | 36 |
| Complexity | 1452.8917 |
Chemical Identifiers
| CAS Number | 585563-68-4 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide (CAS 585563-68-4), with molecular formula C28H28N4O3S and molecular weight 500.19 g/mol. IUPAC: 2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
Property Insights of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
The XLogP value of 4.083 indicates that 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[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 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide has 1 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-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The CAS number of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is 585563-68-4.
What is the molecular formula of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The molecular formula of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is C28H28N4O3S.
What is the molecular weight of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
The molecular weight of 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide is 500.19 g/mol.
Where can I buy 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
You can request a quote for 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[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-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.