4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
TL;DR: 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline (CAS 123066-64-8) is a chemical compound with molecular formula C11H7F6N3 and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
Also Known As: CRAC intermediate 2, 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenylamine, CRACintermediate2, 4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline, Maybridge1_007664
| Molecular Formula | C11H7F6N3 |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.4921 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0544 |
| Heavy Atoms | 20 |
| Complexity | 608.5692 |
Chemical Identifiers
| CAS Number | 123066-64-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F |
Product Overview
4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline (CAS 123066-64-8), with molecular formula C11H7F6N3 and molecular weight 295.05 g/mol. IUPAC: 4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline.
Chemical Property Profile of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
Property Insights of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
The XLogP value of 3.4921 indicates that 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.84 Ų, 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline 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 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline?
The CAS number of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline is 123066-64-8.
What is the molecular formula of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline?
The molecular formula of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline is C11H7F6N3.
What is the molecular weight of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline?
The molecular weight of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline is 295.05 g/mol.
Where can I buy 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline?
You can request a quote for 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.