methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate
TL;DR: methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate (CAS 102575-14-4) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate
Also Known As: methyl 2-methoxy-1,4-benzodioxan-2-carboxylate, methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate, methyl 2-methoxy-2,3-dihydro-1,4-benzodioxine-2-carboxylate, methyl 2-methoxy-3H-benzo[e]1,4-dioxin-2-carboxylate, methyl 2-methoxy-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
Technical Specifications
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.06847 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | COC(=O)C1(COC2=CC=CC=C2O1)OC |
| InChIKey | DFUGFVFFBLLLJM-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate
Property Insights of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate. With a topological polar surface area (TPSA) of 54.0 Ų, methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate 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 methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate?
The CAS number of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate is 102575-14-4.
What is the molecular formula of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate?
The molecular formula of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate is C11H12O5.
What is the molecular weight of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate?
The molecular weight of methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate is 224.06847 g/mol.
Where can I buy methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate?
You can request a quote for methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 3-methoxy-2H-1,4-benzodioxine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.