![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide structure](/static/products/866/866866-16-2.png)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide (CAS 866866-16-2) is a chemical compound with molecular formula C21H19N3O6S2 and molecular weight 473.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide, C716-0078, F1607-0026, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H19N3O6S2 |
|---|---|
| Molecular Weight | 473.07 g/mol |
| LogP | 2.41312 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.07153 |
| Heavy Atoms | 32 |
| Complexity | 1320.1068 |
Chemical Identifiers
| CAS Number | 866866-16-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide (CAS 866866-16-2), with molecular formula C21H19N3O6S2 and molecular weight 473.07 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
The XLogP value of 2.41312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide. The TPSA of 127.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide has 2 hydrogen bond donor(s) and 8 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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide is 866866-16-2.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide is C21H19N3O6S2.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide is 473.07 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.