Pseudocumenol
TL;DR: Pseudocumenol (CAS 496-78-6) 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.
2,4,5-trimethylphenol
Also Known As: 2,4,5-TRIMETHYLPHENOL, Pseudocumenol, 5-Hydroxypseudocumene, Phenol, 2,4,5-trimethyl-, 2,5-Trimethylphenol
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.7 |
| 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 | 111.0 |
Chemical Identifiers
| CAS Number | 496-78-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)C |
| InChIKey | VXSCPERJHPWROZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pseudocumenol (CAS 496-78-6), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2,4,5-trimethylphenol.
Chemical Property Profile of Pseudocumenol
Property Insights of Pseudocumenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudocumenol. With a topological polar surface area (TPSA) of 20.2 Ų, Pseudocumenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudocumenol 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 Pseudocumenol?
The CAS number of Pseudocumenol is 496-78-6.
What is the molecular formula of Pseudocumenol?
The molecular formula of Pseudocumenol is C9H12O.
What is the molecular weight of Pseudocumenol?
The molecular weight of Pseudocumenol is 136.09 g/mol.
Where can I buy Pseudocumenol?
You can request a quote for Pseudocumenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudocumenol?
Yes, KEHONG BIO provides custom synthesis services for Pseudocumenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.