3,4-Dimethoxytoluene
TL;DR: 3,4-Dimethoxytoluene (CAS 494-99-5) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-4-methylbenzene
Also Known As: 3,4-Dimethoxytoluene, Homoveratrole, 1,2-Dimethoxy-4-methylbenzene, 4-Methylveratrole, 4-Methylveratrol
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 494-99-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)OC |
| InChIKey | GYPMBQZAVBFUIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethoxytoluene (CAS 494-99-5), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 1,2-dimethoxy-4-methylbenzene.
Chemical Property Profile of 3,4-Dimethoxytoluene
Property Insights of 3,4-Dimethoxytoluene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxytoluene. With a topological polar surface area (TPSA) of 18.5 Ų, 3,4-Dimethoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxytoluene 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 3,4-Dimethoxytoluene?
The CAS number of 3,4-Dimethoxytoluene is 494-99-5.
What is the molecular formula of 3,4-Dimethoxytoluene?
The molecular formula of 3,4-Dimethoxytoluene is C9H12O2.
What is the molecular weight of 3,4-Dimethoxytoluene?
The molecular weight of 3,4-Dimethoxytoluene is 152.08 g/mol.
Where can I buy 3,4-Dimethoxytoluene?
You can request a quote for 3,4-Dimethoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.