Ethyl p-toluate
TL;DR: Ethyl p-toluate (CAS 94-08-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylbenzoate
Also Known As: Ethyl 4-methylbenzoate, Ethyl p-toluate, Ethyl p-methylbenzoate, Ethyl ptoluate, ethyl-p-toluat
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 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 | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 94-08-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C |
| InChIKey | NWPWRAWAUYIELB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl p-toluate (CAS 94-08-6), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: ethyl 4-methylbenzoate.
Chemical Property Profile of Ethyl p-toluate
Property Insights of Ethyl p-toluate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl p-toluate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl p-toluate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl p-toluate 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 p-toluate?
The CAS number of Ethyl p-toluate is 94-08-6.
What is the molecular formula of Ethyl p-toluate?
The molecular formula of Ethyl p-toluate is C10H12O2.
What is the molecular weight of Ethyl p-toluate?
The molecular weight of Ethyl p-toluate is 164.08 g/mol.
Where can I buy Ethyl p-toluate?
You can request a quote for Ethyl p-toluate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl p-toluate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl p-toluate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.