Methyl p-tolylacetate
TL;DR: Methyl p-tolylacetate (CAS 23786-13-2) 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.
methyl 2-(4-methylphenyl)acetate
Also Known As: Methyl p-tolylacetate, Methyl 4-methylphenylacetate, Methyl 2-(p-tolyl)acetate, methyl 2-(4-methylphenyl)acetate, methylp-tolylacetate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.2 |
| 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 | 23786-13-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)OC |
| InChIKey | LSAGWGNECLEVPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl p-tolylacetate (CAS 23786-13-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: methyl 2-(4-methylphenyl)acetate.
Chemical Property Profile of Methyl p-tolylacetate
Property Insights of Methyl p-tolylacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl p-tolylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl p-tolylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-tolylacetate 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 p-tolylacetate?
The CAS number of Methyl p-tolylacetate is 23786-13-2.
What is the molecular formula of Methyl p-tolylacetate?
The molecular formula of Methyl p-tolylacetate is C10H12O2.
What is the molecular weight of Methyl p-tolylacetate?
The molecular weight of Methyl p-tolylacetate is 164.08 g/mol.
Where can I buy Methyl p-tolylacetate?
You can request a quote for Methyl p-tolylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl p-tolylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl p-tolylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.