3-Tolyl phenylacetate
TL;DR: 3-Tolyl phenylacetate (CAS 122-27-0) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-phenylacetate
Also Known As: m-Cresyl phenylacetate, m-Tolyl phenylacetate, 3-Tolyl phenylacetate, m-Cresyl alpha-toluate, m-Cresylphenylacetate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 122-27-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)CC2=CC=CC=C2 |
| InChIKey | LSWZGOVODYFNQO-UHFFFAOYSA-N |
Product Overview
3-Tolyl phenylacetate (CAS 122-27-0), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: (3-methylphenyl) 2-phenylacetate.
Chemical Property Profile of 3-Tolyl phenylacetate
Property Insights of 3-Tolyl phenylacetate
The XLogP value of 3.7 indicates that 3-Tolyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Tolyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tolyl phenylacetate 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 3-Tolyl phenylacetate?
The CAS number of 3-Tolyl phenylacetate is 122-27-0.
What is the molecular formula of 3-Tolyl phenylacetate?
The molecular formula of 3-Tolyl phenylacetate is C15H14O2.
What is the molecular weight of 3-Tolyl phenylacetate?
The molecular weight of 3-Tolyl phenylacetate is 226.10 g/mol.
Where can I buy 3-Tolyl phenylacetate?
You can request a quote for 3-Tolyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tolyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tolyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.