![4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide structure](/static/products/514/514220-45-2.png)
4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide
TL;DR: 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide (CAS 514220-45-2) is a chemical compound with molecular formula C28H26ClFN4O and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide
Also Known As: 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide, 4-tert-butyl-N'-{[1-(2-chloro-6-fluorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}benzohydrazide, 4-(TERT-BUTYL)-N'-{(E)-1-[1-(2-CHLORO-6-FLUOROBENZYL)-3-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}BENZOHYDRAZIDE, 4-tert-butyl-N'-{(E)-[1-(2-chloro-6-fluorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylidene}benzohydrazide
| Molecular Formula | C28H26ClFN4O |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 6.4523 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.17792 |
| Heavy Atoms | 35 |
| Complexity | 1335.9753 |
Chemical Identifiers
| CAS Number | 514220-45-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CN(N=C2C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F |
Product Overview
4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide (CAS 514220-45-2), with molecular formula C28H26ClFN4O and molecular weight 488.18 g/mol. IUPAC: 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide
Property Insights of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide
The XLogP value of 6.4523 indicates that 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The CAS number of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide is 514220-45-2.
What is the molecular formula of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The molecular formula of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide is C28H26ClFN4O.
What is the molecular weight of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
The molecular weight of 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide is 488.18 g/mol.
Where can I buy 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
You can request a quote for 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.