4-Methyl-1,3-benzodioxole
TL;DR: 4-Methyl-1,3-benzodioxole (CAS 20487-10-9) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,3-benzodioxole
Also Known As: 4-Methyl-1,3-benzodioxole, Methylendioxytoluol, 4-Methylbenzo[d][1,3]dioxole, 4-methyl-benzo[1,3]dioxole, 1,3-Benzodioxole,4-methyl-
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 20487-10-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)OCO2 |
| InChIKey | INHYNOZJAVXMJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1,3-benzodioxole (CAS 20487-10-9), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: 4-methyl-1,3-benzodioxole.
Chemical Property Profile of 4-Methyl-1,3-benzodioxole
Property Insights of 4-Methyl-1,3-benzodioxole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Methyl-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,3-benzodioxole has 0 hydrogen bond donor(s) and 2 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 4-Methyl-1,3-benzodioxole?
The CAS number of 4-Methyl-1,3-benzodioxole is 20487-10-9.
What is the molecular formula of 4-Methyl-1,3-benzodioxole?
The molecular formula of 4-Methyl-1,3-benzodioxole is C8H8O2.
What is the molecular weight of 4-Methyl-1,3-benzodioxole?
The molecular weight of 4-Methyl-1,3-benzodioxole is 136.05 g/mol.
Where can I buy 4-Methyl-1,3-benzodioxole?
You can request a quote for 4-Methyl-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.