Methyl (2,3,5-trimethylphenoxy)acetate
TL;DR: Methyl (2,3,5-trimethylphenoxy)acetate (CAS 95450-49-0) 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-(2,3,5-trimethylphenoxy)acetate
Also Known As: methyl (2,3,5-trimethylphenoxy)acetate, methyl 2-(2,3,5-trimethylphenoxy)acetate, methyl(2,3,5-trimethylphenoxy)acetate, Acetic acid, (2,3,5-trimethylphenoxy)-, methyl ester, A3408/0144530
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.16366 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 369.37512 |
Chemical Identifiers
| CAS Number | 95450-49-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OCC(=O)OC)C)C |
Product Overview
Methyl (2,3,5-trimethylphenoxy)acetate (CAS 95450-49-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 2-(2,3,5-trimethylphenoxy)acetate.
Chemical Property Profile of Methyl (2,3,5-trimethylphenoxy)acetate
Property Insights of Methyl (2,3,5-trimethylphenoxy)acetate
The XLogP value of 2.16366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2,3,5-trimethylphenoxy)acetate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl (2,3,5-trimethylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2,3,5-trimethylphenoxy)acetate has 0 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 (2,3,5-trimethylphenoxy)acetate?
The CAS number of Methyl (2,3,5-trimethylphenoxy)acetate is 95450-49-0.
What is the molecular formula of Methyl (2,3,5-trimethylphenoxy)acetate?
The molecular formula of Methyl (2,3,5-trimethylphenoxy)acetate is C12H16O3.
What is the molecular weight of Methyl (2,3,5-trimethylphenoxy)acetate?
The molecular weight of Methyl (2,3,5-trimethylphenoxy)acetate is 208.11 g/mol.
Where can I buy Methyl (2,3,5-trimethylphenoxy)acetate?
You can request a quote for Methyl (2,3,5-trimethylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2,3,5-trimethylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2,3,5-trimethylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.