![2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide structure](/static/products/498/498535-15-2.png)
2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide
TL;DR: 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide (CAS 498535-15-2) 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-6-(4-methylphenyl)-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide, 2-{[8,8-dimethyl-3-(4-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C28H28N4O3S |
|---|---|
| Molecular Weight | 500.19 g/mol |
| LogP | 4.97964 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.1882 |
| Heavy Atoms | 36 |
| Complexity | 1509.5986 |
Chemical Identifiers
| CAS Number | 498535-15-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C4COC(CC4=N3)(C)C)C(=O)N2C5=CC=C(C=C5)C |
Product Overview
2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide (CAS 498535-15-2), with molecular formula C28H28N4O3S and molecular weight 500.19 g/mol. IUPAC: 2-[[13,13-dimethyl-6-(4-methylphenyl)-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide
Property Insights of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide
The XLogP value of 4.97964 indicates that 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide 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-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide 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-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide?
The CAS number of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide is 498535-15-2.
What is the molecular formula of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide?
The molecular formula of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide is C28H28N4O3S.
What is the molecular weight of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide?
The molecular weight of 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide is 500.19 g/mol.
Where can I buy 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide?
You can request a quote for 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide 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-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((8,8-dimethyl-4-oxo-3-(p-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.