3,4,5-Trimethylphenol
TL;DR: 3,4,5-Trimethylphenol (CAS 527-54-8) 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.
3,4,5-trimethylphenol
Also Known As: 3,4,5-TRIMETHYLPHENOL, Phenol, 3,4,5-trimethyl-, 3,4,5-Hemimellitenol, SYM-Hemellitenol, 1-Hydroxy-3,4,5-trimethylbenzene
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 527-54-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)O |
| InChIKey | FDQQNNZKEJIHMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethylphenol (CAS 527-54-8), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3,4,5-trimethylphenol.
Chemical Property Profile of 3,4,5-Trimethylphenol
Property Insights of 3,4,5-Trimethylphenol
The XLogP value of 3.0 indicates that 3,4,5-Trimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4,5-Trimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethylphenol has 1 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 3,4,5-Trimethylphenol?
The CAS number of 3,4,5-Trimethylphenol is 527-54-8.
What is the molecular formula of 3,4,5-Trimethylphenol?
The molecular formula of 3,4,5-Trimethylphenol is C9H12O.
What is the molecular weight of 3,4,5-Trimethylphenol?
The molecular weight of 3,4,5-Trimethylphenol is 136.09 g/mol.
Where can I buy 3,4,5-Trimethylphenol?
You can request a quote for 3,4,5-Trimethylphenol 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-Trimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.