Ethyl 2,3,5,6-tetramethylbenzoate
TL;DR: Ethyl 2,3,5,6-tetramethylbenzoate (CAS 55352-35-7) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3,5,6-tetramethylbenzoate
Also Known As: ethyl 2,3,5,6-tetramethylbenzoate, 2,3,5,6-tetramethyl-benzoic acid ethyl ester, 1-chloro-2-ethenylsulfonyl-benzene, ethyl-2,3,5,6-tetramethyl benzoate, RefChem:342171
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 55352-35-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC(=C1C)C)C)C |
| InChIKey | SFWAUSITTYSHJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,3,5,6-tetramethylbenzoate (CAS 55352-35-7), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2,3,5,6-tetramethylbenzoate.
Chemical Property Profile of Ethyl 2,3,5,6-tetramethylbenzoate
Property Insights of Ethyl 2,3,5,6-tetramethylbenzoate
The XLogP value of 3.6 indicates that Ethyl 2,3,5,6-tetramethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,3,5,6-tetramethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3,5,6-tetramethylbenzoate 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 2,3,5,6-tetramethylbenzoate?
The CAS number of Ethyl 2,3,5,6-tetramethylbenzoate is 55352-35-7.
What is the molecular formula of Ethyl 2,3,5,6-tetramethylbenzoate?
The molecular formula of Ethyl 2,3,5,6-tetramethylbenzoate is C13H18O2.
What is the molecular weight of Ethyl 2,3,5,6-tetramethylbenzoate?
The molecular weight of Ethyl 2,3,5,6-tetramethylbenzoate is 206.13 g/mol.
Where can I buy Ethyl 2,3,5,6-tetramethylbenzoate?
You can request a quote for Ethyl 2,3,5,6-tetramethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3,5,6-tetramethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3,5,6-tetramethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.