C12H8ClF3N4O2
TL;DR: C12H8ClF3N4O2 (CAS 338975-58-9) is a chemical compound with molecular formula C12H8ClF3N4O2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzamide
Also Known As: 4-chloro-N'-{[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}benzenecarbohydrazide, 4-Chloro-N-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzamide, 4-chloro-N'-{[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}benzohydrazide, 4-chloro-N'-[(Z)-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methyl]benzohydrazide, 4-chloro-N'-[[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methyl]benzohydrazide
| Molecular Formula | C12H8ClF3N4O2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.1391 |
| Topological Polar Surface Area | 90.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02878 |
| Heavy Atoms | 22 |
| Complexity | 761.91394 |
Chemical Identifiers
| CAS Number | 338975-58-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NN=CC2=C(NNC2=O)C(F)(F)F)Cl |
Product Overview
C12H8ClF3N4O2 (CAS 338975-58-9), with molecular formula C12H8ClF3N4O2 and molecular weight 332.03 g/mol. IUPAC: 4-chloro-N-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzamide.
Chemical Property Profile of C12H8ClF3N4O2
Property Insights of C12H8ClF3N4O2
The XLogP value of 2.1391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H8ClF3N4O2. The TPSA of 90.11 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H8ClF3N4O2. Following Lipinski's Rule of Five, C12H8ClF3N4O2 has 3 hydrogen bond donor(s) and 3 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 C12H8ClF3N4O2?
The CAS number of C12H8ClF3N4O2 is 338975-58-9.
What is the molecular formula of C12H8ClF3N4O2?
The molecular formula of C12H8ClF3N4O2 is C12H8ClF3N4O2.
What is the molecular weight of C12H8ClF3N4O2?
The molecular weight of C12H8ClF3N4O2 is 332.03 g/mol.
Where can I buy C12H8ClF3N4O2?
You can request a quote for C12H8ClF3N4O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H8ClF3N4O2?
Yes, KEHONG BIO provides custom synthesis services for C12H8ClF3N4O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.