![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-(3-methylphenyl)acetamide structure](/static/products/585/585555-72-2.png)
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-(3-methylphenyl)acetamide
TL;DR: 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-(3-methylphenyl)acetamide (CAS 585555-72-2) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 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-(3-methylphenyl)acetamide
Also Known As: 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-(3-methylphenyl)acetamide, 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-(m-tolyl)acetamide
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 4.67122 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1481.5345 |
Chemical Identifiers
| CAS Number | 585555-72-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C4COC(CC4=N3)(C)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
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-(3-methylphenyl)acetamide (CAS 585555-72-2), with molecular formula C27H26N4O3S and molecular weight 486.17 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-(3-methylphenyl)acetamide.
Chemical Property Profile of 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-(3-methylphenyl)acetamide
Property Insights of 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-(3-methylphenyl)acetamide
The XLogP value of 4.67122 indicates that 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-(3-methylphenyl)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-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide. Following Lipinski's Rule of Five, 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-(3-methylphenyl)acetamide 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-[(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-(3-methylphenyl)acetamide?
The CAS number of 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-(3-methylphenyl)acetamide is 585555-72-2.
What is the molecular formula of 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-(3-methylphenyl)acetamide?
The molecular formula of 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-(3-methylphenyl)acetamide is C27H26N4O3S.
What is the molecular weight of 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-(3-methylphenyl)acetamide?
The molecular weight of 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-(3-methylphenyl)acetamide is 486.17 g/mol.
Where can I buy 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-(3-methylphenyl)acetamide?
You can request a quote for 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-(3-methylphenyl)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-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 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-(3-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.