1,3-Benzodioxol-5-yl 2-chlorobenzoate
TL;DR: 1,3-Benzodioxol-5-yl 2-chlorobenzoate (CAS 16386-48-4) is a chemical compound with molecular formula C14H9ClO4 and molecular weight 276.01895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl 2-chlorobenzoate
Also Known As: 1,3-benzodioxol-5-yl 2-chlorobenzoate, AO-548/43179690
Technical Specifications
| Molecular Formula | C14H9ClO4 |
| Molecular Weight | 276.01895 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.01895 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3Cl |
| InChIKey | RNCUQUYXSSOJKV-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxol-5-yl 2-chlorobenzoate
Property Insights of 1,3-Benzodioxol-5-yl 2-chlorobenzoate
The XLogP value of 3.8 indicates that 1,3-Benzodioxol-5-yl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxol-5-yl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl 2-chlorobenzoate 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 1,3-Benzodioxol-5-yl 2-chlorobenzoate?
The CAS number of 1,3-Benzodioxol-5-yl 2-chlorobenzoate is 16386-48-4.
What is the molecular formula of 1,3-Benzodioxol-5-yl 2-chlorobenzoate?
The molecular formula of 1,3-Benzodioxol-5-yl 2-chlorobenzoate is C14H9ClO4.
What is the molecular weight of 1,3-Benzodioxol-5-yl 2-chlorobenzoate?
The molecular weight of 1,3-Benzodioxol-5-yl 2-chlorobenzoate is 276.01895 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl 2-chlorobenzoate?
You can request a quote for 1,3-Benzodioxol-5-yl 2-chlorobenzoate 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-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxol-5-yl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.