Methyl 2,4,5-trimethylbenzoate
TL;DR: Methyl 2,4,5-trimethylbenzoate (CAS 51664-96-1) 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.
methyl 2,4,5-trimethylbenzoate
Also Known As: Methyl 2,4,5-trimethylbenzoate, 2,4,5-Trimethylbenzoic acid methyl ester, Methyl 2,4,5-trimethylbenzoate #, Benzoic acid, 2,4,5-trimethyl-, methyl 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 | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 51664-96-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C(=O)OC)C |
| InChIKey | DPELCYPYLWXHAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,4,5-trimethylbenzoate (CAS 51664-96-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: methyl 2,4,5-trimethylbenzoate.
Chemical Property Profile of Methyl 2,4,5-trimethylbenzoate
Property Insights of Methyl 2,4,5-trimethylbenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4,5-trimethylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,4,5-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4,5-trimethylbenzoate 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 Methyl 2,4,5-trimethylbenzoate?
The CAS number of Methyl 2,4,5-trimethylbenzoate is 51664-96-1.
What is the molecular formula of Methyl 2,4,5-trimethylbenzoate?
The molecular formula of Methyl 2,4,5-trimethylbenzoate is C11H14O2.
What is the molecular weight of Methyl 2,4,5-trimethylbenzoate?
The molecular weight of Methyl 2,4,5-trimethylbenzoate is 178.10 g/mol.
Where can I buy Methyl 2,4,5-trimethylbenzoate?
You can request a quote for Methyl 2,4,5-trimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4,5-trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,5-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.