Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester
TL;DR: Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 82224-38-2) is a chemical compound with molecular formula C25H16ClF6NO3 and molecular weight 527.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
Also Known As: Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester, Pentanedioic acid, mono(2-(dichloroamino)-2-methylpropyl) ester, [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate, Benzeneacetic acid, 4-chloro-.alpha.-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, cyano(3-phenoxyphenyl)methyl ester, cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
| Molecular Formula | C25H16ClF6NO3 |
|---|---|
| Molecular Weight | 527.07 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.07227 |
| Heavy Atoms | 36 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 82224-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)OC(=O)C(C3=CC=C(C=C3)Cl)C(C(F)(F)F)C(F)(F)F |
| InChIKey | CQXCRSZZVCZWQE-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester (CAS 82224-38-2), with molecular formula C25H16ClF6NO3 and molecular weight 527.07 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate.
Chemical Property Profile of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester
Property Insights of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester
The XLogP value of 7.4 indicates that Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 10 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, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The CAS number of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester is 82224-38-2.
What is the molecular formula of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular formula of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester is C25H16ClF6NO3.
What is the molecular weight of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester?
The molecular weight of Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester is 527.07 g/mol.
Where can I buy Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester?
You can request a quote for Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl 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, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-chloro-alpha-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, cyano(3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.