3,4,5-Trimethoxyphenol
TL;DR: 3,4,5-Trimethoxyphenol (CAS 642-71-7) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxyphenol
Also Known As: 3,4,5-Trimethoxyphenol, Antiarol, antiaiol, Phenol, 3,4,5-trimethoxy-, 3,4,5-trimethoxy-phenol
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 642-71-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)O |
| InChIKey | VTCDZPUMZAZMSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxyphenol (CAS 642-71-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 3,4,5-trimethoxyphenol.
Chemical Property Profile of 3,4,5-Trimethoxyphenol
Property Insights of 3,4,5-Trimethoxyphenol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxyphenol. With a topological polar surface area (TPSA) of 47.9 Ų, 3,4,5-Trimethoxyphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxyphenol has 1 hydrogen bond donor(s) and 4 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-Trimethoxyphenol?
The CAS number of 3,4,5-Trimethoxyphenol is 642-71-7.
What is the molecular formula of 3,4,5-Trimethoxyphenol?
The molecular formula of 3,4,5-Trimethoxyphenol is C9H12O4.
What is the molecular weight of 3,4,5-Trimethoxyphenol?
The molecular weight of 3,4,5-Trimethoxyphenol is 184.07 g/mol.
Where can I buy 3,4,5-Trimethoxyphenol?
You can request a quote for 3,4,5-Trimethoxyphenol 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-Trimethoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.