AB00681962-01
TL;DR: AB00681962-01 (CAS 302551-83-3) is a chemical compound with molecular formula C12H9ClFN5O3 and molecular weight 325.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
Also Known As: AB00681962-01, (E)-N'-(2-chloro-6-fluorobenzylidene)-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide, N'-(2-chloro-6-fluorobenzylidene)-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(3,5-dihydroxy-1,2,4-triazin-6-yl)acetohydrazide, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetohydrazide
| Molecular Formula | C12H9ClFN5O3 |
|---|---|
| Molecular Weight | 325.04 g/mol |
| LogP | -0.0565 |
| Topological Polar Surface Area | 120.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.03778 |
| Heavy Atoms | 22 |
| Complexity | 824.89075 |
Chemical Identifiers
| CAS Number | 302551-83-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=N/NC(=O)CC2=NNC(=O)NC2=O)F |
Product Overview
AB00681962-01 (CAS 302551-83-3), with molecular formula C12H9ClFN5O3 and molecular weight 325.04 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide.
Chemical Property Profile of AB00681962-01
Property Insights of AB00681962-01
The XLogP value of -0.0565 indicates that AB00681962-01 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681962-01. Following Lipinski's Rule of Five, AB00681962-01 has 3 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 AB00681962-01?
The CAS number of AB00681962-01 is 302551-83-3.
What is the molecular formula of AB00681962-01?
The molecular formula of AB00681962-01 is C12H9ClFN5O3.
What is the molecular weight of AB00681962-01?
The molecular weight of AB00681962-01 is 325.04 g/mol.
Where can I buy AB00681962-01?
You can request a quote for AB00681962-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681962-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681962-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.