2,2,2-Trichloroethyl beta-phenylpropionate
TL;DR: 2,2,2-Trichloroethyl beta-phenylpropionate (CAS 23522-65-8) is a chemical compound with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 3-phenylpropanoate
Also Known As: 2,2,2-Trichloroethyl 3-phenylpropanoate, 2,2,2-trichloroethyl 3-phenylpropionate, 2,2,2-Trichloroethyl 3-phenylpropanoate #, 2,2,2-Trichloroethyl .beta.-phenylpropionate, J2.476.470B
| Molecular Formula | C11H11Cl3O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.98245 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 23522-65-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | ZUBQPTWQWDFBQU-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloroethyl beta-phenylpropionate (CAS 23522-65-8), with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol. IUPAC: 2,2,2-trichloroethyl 3-phenylpropanoate.
Chemical Property Profile of 2,2,2-Trichloroethyl beta-phenylpropionate
Property Insights of 2,2,2-Trichloroethyl beta-phenylpropionate
The XLogP value of 4.2 indicates that 2,2,2-Trichloroethyl beta-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethyl beta-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl beta-phenylpropionate 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 2,2,2-Trichloroethyl beta-phenylpropionate?
The CAS number of 2,2,2-Trichloroethyl beta-phenylpropionate is 23522-65-8.
What is the molecular formula of 2,2,2-Trichloroethyl beta-phenylpropionate?
The molecular formula of 2,2,2-Trichloroethyl beta-phenylpropionate is C11H11Cl3O2.
What is the molecular weight of 2,2,2-Trichloroethyl beta-phenylpropionate?
The molecular weight of 2,2,2-Trichloroethyl beta-phenylpropionate is 279.98 g/mol.
Where can I buy 2,2,2-Trichloroethyl beta-phenylpropionate?
You can request a quote for 2,2,2-Trichloroethyl beta-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl beta-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl beta-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.