3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one
TL;DR: 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one (CAS 102271-83-0) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one, 3-(benzo[1,3]dioxol-5-ylmethylidene)oxolan-2-one, 2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylmethylene)dihydro-, (E)-, 3-(1,3-Benzodioxol-5-ylmethylene)dihydro-2(3H)-furanone, 2(3H)-Furanone, 3-(1,3-benzodioxol-5-ylmethylene)dihydro-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.0579 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0579 Da |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
| SMILES | C1COC(=O)C1=CC2=CC3=C(C=C2)OCO3 |
| InChIKey | UZLHPXPKYRQXJV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one
Property Insights of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one is 102271-83-0.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one is C12H10O4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one is 218.0579 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethylidene)oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.