Ethyl 2,6-dimethylbenzoate
TL;DR: Ethyl 2,6-dimethylbenzoate (CAS 36596-67-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dimethylbenzoate
Also Known As: Ethyl 2,6-dimethylbenzoate, 2,6-Dimethylbenzoic acid ethyl ester, ETHYL2,6-DIMETHYLBENZOATE, 2,6-dimethyl benzoic acid ethyl ester, Benzoic acid, 2,6-dimethyl-, ethyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 36596-67-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC=C1C)C |
| InChIKey | NBBSIMLSNFENNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,6-dimethylbenzoate (CAS 36596-67-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: ethyl 2,6-dimethylbenzoate.
Chemical Property Profile of Ethyl 2,6-dimethylbenzoate
Property Insights of Ethyl 2,6-dimethylbenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-dimethylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,6-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,6-dimethylbenzoate 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 2,6-dimethylbenzoate?
The CAS number of Ethyl 2,6-dimethylbenzoate is 36596-67-5.
What is the molecular formula of Ethyl 2,6-dimethylbenzoate?
The molecular formula of Ethyl 2,6-dimethylbenzoate is C11H14O2.
What is the molecular weight of Ethyl 2,6-dimethylbenzoate?
The molecular weight of Ethyl 2,6-dimethylbenzoate is 178.10 g/mol.
Where can I buy Ethyl 2,6-dimethylbenzoate?
You can request a quote for Ethyl 2,6-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,6-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.