2-Methylphenyl diphenylacetate
TL;DR: 2-Methylphenyl diphenylacetate (CAS 111583-68-7) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2,2-diphenylacetate
Also Known As: 2-methylphenyl diphenylacetate, o-tolyl diphenylacetate, o-cresyl diphenylacetate, 2-methylphenyl 2,2-diphenylacetate, Diphenyl-essigsaeure-o-tolylester
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.73252 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 739.70654 |
Chemical Identifiers
| CAS Number | 111583-68-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
2-Methylphenyl diphenylacetate (CAS 111583-68-7), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (2-methylphenyl) 2,2-diphenylacetate.
Chemical Property Profile of 2-Methylphenyl diphenylacetate
Property Insights of 2-Methylphenyl diphenylacetate
The XLogP value of 4.73252 indicates that 2-Methylphenyl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylphenyl diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl diphenylacetate 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 2-Methylphenyl diphenylacetate?
The CAS number of 2-Methylphenyl diphenylacetate is 111583-68-7.
What is the molecular formula of 2-Methylphenyl diphenylacetate?
The molecular formula of 2-Methylphenyl diphenylacetate is C21H18O2.
What is the molecular weight of 2-Methylphenyl diphenylacetate?
The molecular weight of 2-Methylphenyl diphenylacetate is 302.13 g/mol.
Where can I buy 2-Methylphenyl diphenylacetate?
You can request a quote for 2-Methylphenyl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenyl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.