![5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole structure](/static/products/7171/71712-35-1.webp)
5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole
TL;DR: 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole (CAS 71712-35-1) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzodioxole
Also Known As: 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole, 5-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzodioxole
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 71712-35-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CC2=CC3=C(C=C2)OCO3)OC |
| InChIKey | OOYKRFSOZWKLTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole (CAS 71712-35-1), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 5-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzodioxole.
Chemical Property Profile of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole
Property Insights of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole
The XLogP value of 4.0 indicates that 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole has 0 hydrogen bond donor(s) and 3 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 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole?
The CAS number of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole is 71712-35-1.
What is the molecular formula of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole?
The molecular formula of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole is C16H16O3.
What is the molecular weight of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole?
The molecular weight of 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole is 256.11 g/mol.
Where can I buy 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole?
You can request a quote for 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-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 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Methoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.