3,4,5-Trimethoxytoluene
TL;DR: 3,4,5-Trimethoxytoluene (CAS 6443-69-2) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethoxy-5-methylbenzene
Also Known As: 3,4,5-Trimethoxytoluene, 1,2,3-Trimethoxy-5-methylbenzene, Methoxyacetylene, Benzene, 1,2,3-trimethoxy-5-methyl-, 3,4,5-trimethoxy-toluene
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 6443-69-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxytoluene (CAS 6443-69-2), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 1,2,3-trimethoxy-5-methylbenzene.
Chemical Property Profile of 3,4,5-Trimethoxytoluene
Property Insights of 3,4,5-Trimethoxytoluene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxytoluene. With a topological polar surface area (TPSA) of 27.7 Ų, 3,4,5-Trimethoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxytoluene 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 3,4,5-Trimethoxytoluene?
The CAS number of 3,4,5-Trimethoxytoluene is 6443-69-2.
What is the molecular formula of 3,4,5-Trimethoxytoluene?
The molecular formula of 3,4,5-Trimethoxytoluene is C10H14O3.
What is the molecular weight of 3,4,5-Trimethoxytoluene?
The molecular weight of 3,4,5-Trimethoxytoluene is 182.09 g/mol.
Where can I buy 3,4,5-Trimethoxytoluene?
You can request a quote for 3,4,5-Trimethoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.