![[[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate structure](/static/products/866/866038-35-9.png)
[[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate
TL;DR: [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate (CAS 866038-35-9) is a chemical compound with molecular formula C22H24FN5O3 and molecular weight 425.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate
Also Known As: [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate, 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N'-[(4-fluorobenzoyl)oxy]ethanimidamide
| Molecular Formula | C22H24FN5O3 |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 2.90822 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1863 |
| Heavy Atoms | 31 |
| Complexity | 1169.8408 |
Chemical Identifiers
| CAS Number | 866038-35-9 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)(C)C)CC(=NOC(=O)C3=CC=C(C=C3)F)N |
Product Overview
[[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate (CAS 866038-35-9), with molecular formula C22H24FN5O3 and molecular weight 425.19 g/mol. IUPAC: [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate.
Chemical Property Profile of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate
Property Insights of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate
The XLogP value of 2.90822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate. Following Lipinski's Rule of Five, [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate has 1 hydrogen bond donor(s) and 5 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 [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate?
The CAS number of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate is 866038-35-9.
What is the molecular formula of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate?
The molecular formula of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate is C22H24FN5O3.
What is the molecular weight of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate?
The molecular weight of [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate is 425.19 g/mol.
Where can I buy [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate?
You can request a quote for [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[1-amino-2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethylidene]amino] 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.