Pentamethylphenol
TL;DR: Pentamethylphenol (CAS 2819-86-5) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentamethylphenol
Also Known As: PENTAMETHYLPHENOL, Phenol, pentamethyl-, 2,3,4,5,6-pentamethylphenol, Phenol, 2,3,4,5,6-pentamethyl-, Phenol, pentamethyl
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| Melting Point | 128 °C |
| Boiling Point | 267 °C |
| Solubility | Insoluble in water; soluble in ethanol |
| Vapor Pressure | 0.00214 [mmHg] |
Chemical Identifiers
| CAS Number | 2819-86-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)O)C)C |
| InChIKey | WALBTDFSFTVXII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethylphenol (CAS 2819-86-5), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2,3,4,5,6-pentamethylphenol.
Chemical Property Profile of Pentamethylphenol
Property Insights of Pentamethylphenol
The XLogP value of 3.4 indicates that Pentamethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Pentamethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylphenol 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 Pentamethylphenol?
The CAS number of Pentamethylphenol is 2819-86-5.
What is the molecular formula of Pentamethylphenol?
The molecular formula of Pentamethylphenol is C11H16O.
What is the molecular weight of Pentamethylphenol?
The molecular weight of Pentamethylphenol is 164.12 g/mol.
Where can I buy Pentamethylphenol?
You can request a quote for Pentamethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylphenol?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.