![2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide structure](/static/products/587/587007-49-6.png)
2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
TL;DR: 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide (CAS 587007-49-6) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethyl-13,13-dimethyl-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]-N-phenylacetamide
Also Known As: 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide, 2-(3-Ethyl-7,7-dimethyl-4-oxo-3,5,7,8-tetrahydro-4H-6-oxa-1,3,9-triaza-anthracen-2-ylsulfanyl)-N-phenyl- acetamide, 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.3935 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1158.4967 |
Chemical Identifiers
| CAS Number | 587007-49-6 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=O)NC4=CC=CC=C4 |
Product Overview
2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide (CAS 587007-49-6), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 2-[(6-ethyl-13,13-dimethyl-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
Property Insights of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
The XLogP value of 3.3935 indicates that 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide 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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide has 1 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-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide?
The CAS number of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide is 587007-49-6.
What is the molecular formula of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide is C22H24N4O3S.
What is the molecular weight of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide is 424.16 g/mol.
Where can I buy 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.