C19H14ClFN8O3
TL;DR: C19H14ClFN8O3 (CAS 861115-58-4) is a chemical compound with molecular formula C19H14ClFN8O3 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-chloro-6-fluorobenzylidene)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H14ClFN8O3 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 2.4645 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.08615 |
| Heavy Atoms | 32 |
| Complexity | 1299.4076 |
Chemical Identifiers
| CAS Number | 861115-58-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CC=C4Cl)F |
Product Overview
C19H14ClFN8O3 (CAS 861115-58-4), with molecular formula C19H14ClFN8O3 and molecular weight 456.09 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of C19H14ClFN8O3
Property Insights of C19H14ClFN8O3
The XLogP value of 2.4645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H14ClFN8O3. The TPSA of 146.34 Ų indicates high polarity, suggesting C19H14ClFN8O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H14ClFN8O3 has 2 hydrogen bond donor(s) and 9 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 C19H14ClFN8O3?
The CAS number of C19H14ClFN8O3 is 861115-58-4.
What is the molecular formula of C19H14ClFN8O3?
The molecular formula of C19H14ClFN8O3 is C19H14ClFN8O3.
What is the molecular weight of C19H14ClFN8O3?
The molecular weight of C19H14ClFN8O3 is 456.09 g/mol.
Where can I buy C19H14ClFN8O3?
You can request a quote for C19H14ClFN8O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H14ClFN8O3?
Yes, KEHONG BIO provides custom synthesis services for C19H14ClFN8O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.