3,4-Dimethylanisole
TL;DR: 3,4-Dimethylanisole (CAS 4685-47-6) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1,2-dimethylbenzene
Also Known As: 3,4-Dimethylanisole, 4-Methoxy-1,2-dimethylbenzene, 4-Methoxy-o-xylene, 3,4-Dimethyl anisole, 4-Methoxy-1,2-dimethyl-benzene
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 4685-47-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC)C |
| InChIKey | LVUBSVWMOWKPDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylanisole (CAS 4685-47-6), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 4-methoxy-1,2-dimethylbenzene.
Chemical Property Profile of 3,4-Dimethylanisole
Property Insights of 3,4-Dimethylanisole
The XLogP value of 3.2 indicates that 3,4-Dimethylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3,4-Dimethylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylanisole has 0 hydrogen bond donor(s) and 1 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 3,4-Dimethylanisole?
The CAS number of 3,4-Dimethylanisole is 4685-47-6.
What is the molecular formula of 3,4-Dimethylanisole?
The molecular formula of 3,4-Dimethylanisole is C9H12O.
What is the molecular weight of 3,4-Dimethylanisole?
The molecular weight of 3,4-Dimethylanisole is 136.09 g/mol.
Where can I buy 3,4-Dimethylanisole?
You can request a quote for 3,4-Dimethylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylanisole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.