Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester
TL;DR: Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester (CAS 65416-22-0) is a chemical compound with molecular formula C16H13Cl3O2 and molecular weight 342.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-phenylethyl) 2-phenylacetate
Also Known As: Trichlormethylphenylcarbinol, phenyl acetate, 2,2,2-Trichloro-1-phenylethyl phenylacetate, Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester, 2,2,2-trichloro-1-phenylethylphenylacetate, (2,2,2-trichloro-1-phenylethyl) 2-phenylacetate
| Molecular Formula | C16H13Cl3O2 |
|---|---|
| Molecular Weight | 342.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.9981 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 65416-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC(C2=CC=CC=C2)C(Cl)(Cl)Cl |
| InChIKey | XBNCLGQQXMCUGV-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester (CAS 65416-22-0), with molecular formula C16H13Cl3O2 and molecular weight 342.00 g/mol. IUPAC: (2,2,2-trichloro-1-phenylethyl) 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester
Property Insights of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester
The XLogP value of 5.1 indicates that Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester?
The CAS number of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester is 65416-22-0.
What is the molecular formula of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester?
The molecular formula of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester is C16H13Cl3O2.
What is the molecular weight of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester?
The molecular weight of Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester is 342.00 g/mol.
Where can I buy Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester?
You can request a quote for Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2,2,2-trichloro-1-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.