2,6-Dimethylol-p-cresol
TL;DR: 2,6-Dimethylol-p-cresol (CAS 91-04-3) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(hydroxymethyl)-4-methylphenol
Also Known As: 2,6-Bis(hydroxymethyl)-p-cresol, 2,6-Bis(hydroxymethyl)-4-methylphenol, 2,6-Dimethylol-p-cresol, 2,6-Dimethylol-4-methylphenol, 2,6-Di(hydroxymethyl)-p-cresol
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 91-04-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CO)O)CO |
| InChIKey | KUMMBDBTERQYCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylol-p-cresol (CAS 91-04-3), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2,6-bis(hydroxymethyl)-4-methylphenol.
Chemical Property Profile of 2,6-Dimethylol-p-cresol
Property Insights of 2,6-Dimethylol-p-cresol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylol-p-cresol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethylol-p-cresol. Following Lipinski's Rule of Five, 2,6-Dimethylol-p-cresol has 3 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 2,6-Dimethylol-p-cresol?
The CAS number of 2,6-Dimethylol-p-cresol is 91-04-3.
What is the molecular formula of 2,6-Dimethylol-p-cresol?
The molecular formula of 2,6-Dimethylol-p-cresol is C9H12O3.
What is the molecular weight of 2,6-Dimethylol-p-cresol?
The molecular weight of 2,6-Dimethylol-p-cresol is 168.08 g/mol.
Where can I buy 2,6-Dimethylol-p-cresol?
You can request a quote for 2,6-Dimethylol-p-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylol-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylol-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.