Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-
TL;DR: Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- (CAS 35444-04-3) is a chemical compound with molecular formula C12H5F6NO and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile
Also Known As: p-(4,4,4-Trifluoro-3-trifluoromethylcrotonoyl)benzonitrile, 4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile, 4-((3,3,3-Trifluoro-2-trifluoromethyl)propenylcarbonyl)benzonitrile, BENZONITRILE, p-(4,4,4-TRIFLUORO-3-TRIFLUOROMETHYLCROTONOYL)-, p-[3,3-Bis(trifluoromethyl)propenoyl]benzonitrile
| Molecular Formula | C12H5F6NO |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.02753 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 35444-04-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | YIEXXKXHFFEEFO-UHFFFAOYSA-N |
Product Overview
Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- (CAS 35444-04-3), with molecular formula C12H5F6NO and molecular weight 293.03 g/mol. IUPAC: 4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile.
Chemical Property Profile of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-
Property Insights of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-
The XLogP value of 3.8 indicates that Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- has 0 hydrogen bond donor(s) and 8 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 Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-?
The CAS number of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- is 35444-04-3.
What is the molecular formula of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-?
The molecular formula of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- is C12H5F6NO.
What is the molecular weight of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-?
The molecular weight of Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- is 293.03 g/mol.
Where can I buy Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-?
You can request a quote for Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.