Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate
TL;DR: Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate (CAS 63809-19-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate
Also Known As: methyl 2-hydroxy-2-mesitylacetate, 2,4,6-trimethyl-mandelic acid-methyl ester, Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.81826 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 359.44876 |
Chemical Identifiers
| CAS Number | 63809-19-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(C(=O)OC)O)C |
Product Overview
Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate (CAS 63809-19-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate.
Chemical Property Profile of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate
Property Insights of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate
The XLogP value of 1.81826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate has 1 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 Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate?
The CAS number of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate is 63809-19-8.
What is the molecular formula of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate?
The molecular formula of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate is C12H16O3.
What is the molecular weight of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate?
The molecular weight of Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate is 208.11 g/mol.
Where can I buy Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate?
You can request a quote for Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-2-(2,4,6-trimethylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.