1,3-Benzodioxol-5-yl 2-furoate
TL;DR: 1,3-Benzodioxol-5-yl 2-furoate (CAS 16386-50-8) is a chemical compound with molecular formula C12H8O5 and molecular weight 232.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl furan-2-carboxylate
Also Known As: 1,3-benzodioxol-5-yl 2-furoate, 1,3-benzodioxol-5-yl furan-2-carboxylate, AO-548/43179513
Technical Specifications
| Molecular Formula | C12H8O5 |
| Molecular Weight | 232.03717 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03717 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=CO3 |
| InChIKey | REEGUWBJQLYGMM-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxol-5-yl 2-furoate
Property Insights of 1,3-Benzodioxol-5-yl 2-furoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl 2-furoate. With a topological polar surface area (TPSA) of 57.9 Ų, 1,3-Benzodioxol-5-yl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl 2-furoate 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 1,3-Benzodioxol-5-yl 2-furoate?
The CAS number of 1,3-Benzodioxol-5-yl 2-furoate is 16386-50-8.
What is the molecular formula of 1,3-Benzodioxol-5-yl 2-furoate?
The molecular formula of 1,3-Benzodioxol-5-yl 2-furoate is C12H8O5.
What is the molecular weight of 1,3-Benzodioxol-5-yl 2-furoate?
The molecular weight of 1,3-Benzodioxol-5-yl 2-furoate is 232.03717 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl 2-furoate?
You can request a quote for 1,3-Benzodioxol-5-yl 2-furoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxol-5-yl 2-furoate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxol-5-yl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.