2,4,6-Trimethylbenzenepropanol
TL;DR: 2,4,6-Trimethylbenzenepropanol (CAS 27645-07-4) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trimethylphenyl)propan-1-ol
Also Known As: 3-Mesitylpropan-1-ol, 1-mesityl-3-propanol, 3-Mesityl-1-propanol, 3-(2,4,6-trimethylphenyl)propan-1-ol, 3-Mesityl-1-propanol #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 27645-07-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CCCO)C |
| InChIKey | DJYYCKKWIVZQFN-UHFFFAOYSA-N |
Product Overview
2,4,6-Trimethylbenzenepropanol (CAS 27645-07-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-(2,4,6-trimethylphenyl)propan-1-ol.
Chemical Property Profile of 2,4,6-Trimethylbenzenepropanol
Property Insights of 2,4,6-Trimethylbenzenepropanol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzenepropanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4,6-Trimethylbenzenepropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzenepropanol 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 2,4,6-Trimethylbenzenepropanol?
The CAS number of 2,4,6-Trimethylbenzenepropanol is 27645-07-4.
What is the molecular formula of 2,4,6-Trimethylbenzenepropanol?
The molecular formula of 2,4,6-Trimethylbenzenepropanol is C12H18O.
What is the molecular weight of 2,4,6-Trimethylbenzenepropanol?
The molecular weight of 2,4,6-Trimethylbenzenepropanol is 178.14 g/mol.
Where can I buy 2,4,6-Trimethylbenzenepropanol?
You can request a quote for 2,4,6-Trimethylbenzenepropanol 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-Trimethylbenzenepropanol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzenepropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.