(2,4,6-Trimethyl-1,3-phenylene)dimethanol
TL;DR: (2,4,6-Trimethyl-1,3-phenylene)dimethanol (CAS 29329-35-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol
Also Known As: 2,4-BIS(HYDROXYMETHYL)-1,3,5-TRIMETHYLBENZENE, [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol, 1,3-Benzenedimethanol,2,4,6-trimethyl-, (2,4,6-trimethyl-1,3-phenylene)dimethanol, BAS 00337451
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 29329-35-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CO)C)CO)C |
| InChIKey | NWAIYLFAGPKYBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4,6-Trimethyl-1,3-phenylene)dimethanol (CAS 29329-35-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol.
Chemical Property Profile of (2,4,6-Trimethyl-1,3-phenylene)dimethanol
Property Insights of (2,4,6-Trimethyl-1,3-phenylene)dimethanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4,6-Trimethyl-1,3-phenylene)dimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, (2,4,6-Trimethyl-1,3-phenylene)dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,6-Trimethyl-1,3-phenylene)dimethanol has 2 hydrogen bond donor(s) and 2 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 (2,4,6-Trimethyl-1,3-phenylene)dimethanol?
The CAS number of (2,4,6-Trimethyl-1,3-phenylene)dimethanol is 29329-35-9.
What is the molecular formula of (2,4,6-Trimethyl-1,3-phenylene)dimethanol?
The molecular formula of (2,4,6-Trimethyl-1,3-phenylene)dimethanol is C11H16O2.
What is the molecular weight of (2,4,6-Trimethyl-1,3-phenylene)dimethanol?
The molecular weight of (2,4,6-Trimethyl-1,3-phenylene)dimethanol is 180.12 g/mol.
Where can I buy (2,4,6-Trimethyl-1,3-phenylene)dimethanol?
You can request a quote for (2,4,6-Trimethyl-1,3-phenylene)dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,6-Trimethyl-1,3-phenylene)dimethanol?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-Trimethyl-1,3-phenylene)dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.