1,3-Benzodioxol-5-yl benzenesulfonate
TL;DR: 1,3-Benzodioxol-5-yl benzenesulfonate (CAS 16386-52-0) is a chemical compound with molecular formula C13H10O5S and molecular weight 278.0249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl benzenesulfonate
Also Known As: 1,3-benzodioxol-5-yl benzenesulfonate, AO-548/43196741
Technical Specifications
| Molecular Formula | C13H10O5S |
| Molecular Weight | 278.0249 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0249 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | WZMSUJWMUVTORW-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxol-5-yl benzenesulfonate
Property Insights of 1,3-Benzodioxol-5-yl benzenesulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl benzenesulfonate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl benzenesulfonate. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl benzenesulfonate 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 benzenesulfonate?
The CAS number of 1,3-Benzodioxol-5-yl benzenesulfonate is 16386-52-0.
What is the molecular formula of 1,3-Benzodioxol-5-yl benzenesulfonate?
The molecular formula of 1,3-Benzodioxol-5-yl benzenesulfonate is C13H10O5S.
What is the molecular weight of 1,3-Benzodioxol-5-yl benzenesulfonate?
The molecular weight of 1,3-Benzodioxol-5-yl benzenesulfonate is 278.0249 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl benzenesulfonate?
You can request a quote for 1,3-Benzodioxol-5-yl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxol-5-yl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxol-5-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.