1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one
TL;DR: 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one (CAS 112117-88-1) is a chemical compound with molecular formula C12H8Cl2O3 and molecular weight 269.98505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one, 1-benzo[1,3]dioxol-5-yl-5,5-dichloro-penta-2,4-dien-1-one
Technical Specifications
| Molecular Formula | C12H8Cl2O3 |
| Molecular Weight | 269.98505 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.98505 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C=CC=C(Cl)Cl |
| InChIKey | ZOXDXIJGHZIXMW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one
Property Insights of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one
The XLogP value of 3.6 indicates that 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one 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-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one is 112117-88-1.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one is C12H8Cl2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one is 269.98505 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-5,5-dichloropenta-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.