Ethyl 3,5-dimethylphenylacetate
TL;DR: Ethyl 3,5-dimethylphenylacetate (CAS 105337-18-6) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dimethylphenyl)acetate
Also Known As: Ethyl 3,5-dimethylphenylacetate, ethyl 2-(3,5-dimethylphenyl)acetate, Ethyl 3,5-dimethylphenyl acetate, ethyl (3,5-dimethylphenyl)acetate, Ethyl2-(3,5-dimethylphenyl)acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.40904 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 308.84366 |
Chemical Identifiers
| CAS Number | 105337-18-6 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=CC(=C1)C)C |
Product Overview
Ethyl 3,5-dimethylphenylacetate (CAS 105337-18-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: ethyl 2-(3,5-dimethylphenyl)acetate.
Chemical Property Profile of Ethyl 3,5-dimethylphenylacetate
Property Insights of Ethyl 3,5-dimethylphenylacetate
The XLogP value of 2.40904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethylphenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,5-dimethylphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethylphenylacetate has 0 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 Ethyl 3,5-dimethylphenylacetate?
The CAS number of Ethyl 3,5-dimethylphenylacetate is 105337-18-6.
What is the molecular formula of Ethyl 3,5-dimethylphenylacetate?
The molecular formula of Ethyl 3,5-dimethylphenylacetate is C12H16O2.
What is the molecular weight of Ethyl 3,5-dimethylphenylacetate?
The molecular weight of Ethyl 3,5-dimethylphenylacetate is 192.12 g/mol.
Where can I buy Ethyl 3,5-dimethylphenylacetate?
You can request a quote for Ethyl 3,5-dimethylphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dimethylphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dimethylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.