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Methyl benzo[d][1,3]dioxole-4-carboxylate
TL;DR: Methyl benzo[d][1,3]dioxole-4-carboxylate (CAS 3407-00-9) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-benzodioxole-4-carboxylate
Also Known As: methyl benzo[d][1,3]dioxole-4-carboxylate, methyl 1,3-benzodioxole-4-carboxylate, methyl 2H-1,3-benzodioxole-4-carboxylate, Methyl1,3-benzodioxole-4-carboxylate, methyl 1,3-benzodioxol-4-carboxylate
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 3407-00-9 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C1)OCO2 |
| InChIKey | KRPFJCUXHWEVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl benzo[d][1,3]dioxole-4-carboxylate (CAS 3407-00-9), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: methyl 1,3-benzodioxole-4-carboxylate.
Chemical Property Profile of Methyl benzo[d][1,3]dioxole-4-carboxylate
Property Insights of Methyl benzo[d][1,3]dioxole-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzo[d][1,3]dioxole-4-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl benzo[d][1,3]dioxole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzo[d][1,3]dioxole-4-carboxylate 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
Frequently Asked Questions
What is the CAS number of Methyl benzo[d][1,3]dioxole-4-carboxylate?
The CAS number of Methyl benzo[d][1,3]dioxole-4-carboxylate is 3407-00-9.
What is the molecular formula of Methyl benzo[d][1,3]dioxole-4-carboxylate?
The molecular formula of Methyl benzo[d][1,3]dioxole-4-carboxylate is C9H8O4.
What is the molecular weight of Methyl benzo[d][1,3]dioxole-4-carboxylate?
The molecular weight of Methyl benzo[d][1,3]dioxole-4-carboxylate is 180.04 g/mol.
Where can I buy Methyl benzo[d][1,3]dioxole-4-carboxylate?
You can request a quote for Methyl benzo[d][1,3]dioxole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzo[d][1,3]dioxole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzo[d][1,3]dioxole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.