Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-
TL;DR: Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- (CAS 110457-91-5) is a chemical compound with molecular formula C22H19ClF3NO and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
Also Known As: Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-, 2-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
| Molecular Formula | C22H19ClF3NO |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 7.04328 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11072 |
| Heavy Atoms | 28 |
| Complexity | 915.3694 |
Chemical Identifiers
| CAS Number | 110457-91-5 |
|---|---|
| SMILES | CC1(C(C1C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C |
Product Overview
Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- (CAS 110457-91-5), with molecular formula C22H19ClF3NO and molecular weight 405.11 g/mol. IUPAC: 2-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-
Property Insights of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-
The XLogP value of 7.04328 indicates that Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- 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 Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-?
The CAS number of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- is 110457-91-5.
What is the molecular formula of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-?
The molecular formula of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- is C22H19ClF3NO.
What is the molecular weight of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-?
The molecular weight of Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- is 405.11 g/mol.
Where can I buy Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-?
You can request a quote for Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-(3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropyl)-3-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.