![2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide structure](/static/products/4619/4619-77-6.webp)
2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
TL;DR: 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 4619-77-6) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 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-prop-2-enyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide
Also Known As: 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-((3-allyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-(3-Allyl-7,7-dimethyl-4-oxo-3,5,7,8-tetrahydro-4H-6-oxa-1,3,9-triaza-anthracen-2-ylsulfanyl)-acetamid e
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.4062 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 920.22943 |
Chemical Identifiers
| CAS Number | 4619-77-6 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)N)CC=C)C |
Product Overview
2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 4619-77-6), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 2-[(13,13-dimethyl-7-oxo-6-prop-2-enyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Property Insights of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
The XLogP value of 1.4062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}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-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide?
The CAS number of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide is 4619-77-6.
What is the molecular formula of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide?
The molecular formula of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide is C17H20N4O3S.
What is the molecular weight of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide?
The molecular weight of 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide is 360.13 g/mol.
Where can I buy 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide?
You can request a quote for 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}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-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.