1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one
TL;DR: 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one (CAS 10354-27-5) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)pent-1-en-3-one
Also Known As: 1-(3,4-Methylenedioxyphenyl)-1-penten-3-one, 1-(1,3-benzodioxol-5-yl)pent-1-en-3-one, 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one, 1-Penten-3-one,1-(1,3-benzodioxol-5-yl)-, (1E)-1-(2H-1,3-benzodioxol-5-yl)pent-1-en-3-one
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | CCC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | HIHLSOAEMNBULL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one
Property Insights of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-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-(3,4-Methylenedioxyphenyl)-1-pentene-3-one?
The CAS number of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one is 10354-27-5.
What is the molecular formula of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one?
The molecular formula of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one is C12H12O3.
What is the molecular weight of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one?
The molecular weight of 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one is 204.07864 g/mol.
Where can I buy 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one?
You can request a quote for 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Methylenedioxyphenyl)-1-pentene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.