1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone (CAS 828275-66-7) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-propoxy-2-pyrimidinyl)sulfanyl]ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-propoxypyrimidin-2-yl)sulfanyl]ethanone, 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-[(4-PROPOXY-2-PYRIMIDINYL)SULFANYL]-1-ETHANONE, 1-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)-2-(4-propoxypyrimidin-2-yl)sulfanyl-ethanone
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.0116 |
| Topological Polar Surface Area | 70.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 723.48676 |
Chemical Identifiers
| CAS Number | 828275-66-7 |
|---|---|
| SMILES | CCCOC1=NC(=NC=C1)SCC(=O)C2=CC3=C(C=C2)OCCO3 |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone (CAS 828275-66-7), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone
The XLogP value of 3.0116 indicates that 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone has 0 hydrogen bond donor(s) and 7 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 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone is 828275-66-7.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone is C17H18N2O4S.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone is 346.10 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-propoxypyrimidin-2-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.