1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone
TL;DR: 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone (CAS 164526-09-4) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-one
Also Known As: 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one, 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone, 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-one, 1-(7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-PROPANONE, 1-(7-nitro-2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)propan-1-one
Technical Specifications
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.06372 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.06372 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | CCC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2 |
| InChIKey | OZIQYDPFZXTZSB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone
Property Insights of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone?
The CAS number of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone is 164526-09-4.
What is the molecular formula of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone?
The molecular formula of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone is C11H11NO5.
What is the molecular weight of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone?
The molecular weight of 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone is 237.06372 g/mol.
Where can I buy 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone?
You can request a quote for 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone?
Yes, CoreyChem provides custom synthesis services for 1-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.