3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone
TL;DR: 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone (CAS 101931-76-4) is a chemical compound with molecular formula C12H10F6N2 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]aniline
Also Known As: 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone, 1,1,1-Trifluoro-2-trifluoromethyl-2-pentan-4-one, phenylhydrazone, N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]aniline, RefChem:1068457
| Molecular Formula | C12H10F6N2 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 4.5254 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.07483 |
| Heavy Atoms | 20 |
| Complexity | 482.9191 |
Chemical Identifiers
| CAS Number | 101931-76-4 |
|---|---|
| SMILES | C/C(=N/NC1=CC=CC=C1)/C=C(C(F)(F)F)C(F)(F)F |
Product Overview
3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone (CAS 101931-76-4), with molecular formula C12H10F6N2 and molecular weight 296.07 g/mol. IUPAC: N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]aniline.
Chemical Property Profile of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone
Property Insights of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone
The XLogP value of 4.5254 indicates that 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone has 1 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 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone?
The CAS number of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone is 101931-76-4.
What is the molecular formula of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone?
The molecular formula of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone is C12H10F6N2.
What is the molecular weight of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone?
The molecular weight of 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone is 296.07 g/mol.
Where can I buy 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone?
You can request a quote for 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-, phenylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.