1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
TL;DR: 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- (CAS 111038-94-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
Also Known As: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one, starbld0021504, 7-Propionyl-1,5-benzodioxypane, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)propan-1-one, 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| SMILES | CCC(=O)C1=CC2=C(C=C1)OCCCO2 |
| InChIKey | WTSBSCIGLWOZGU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
Property Insights of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- has 0 hydrogen bond donor(s) and 3 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-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-?
The CAS number of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- is 111038-94-9.
What is the molecular formula of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-?
The molecular formula of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- is C12H14O3.
What is the molecular weight of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-?
The molecular weight of 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- is 206.0943 g/mol.
Where can I buy 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-?
You can request a quote for 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-?
Yes, CoreyChem provides custom synthesis services for 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.