C13H12ClFN4O2
TL;DR: C13H12ClFN4O2 (CAS 306952-56-7) is a chemical compound with molecular formula C13H12ClFN4O2 and molecular weight 310.06 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-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
Also Known As: (E)-N'-(2-chloro-6-fluorobenzylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazide, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-2-(3-methyl-5-oxo(2-pyrazolin- 4-yl))acetamide, N-[(2-chloro-6-fluoro-phenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
| Molecular Formula | C13H12ClFN4O2 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 1.4412 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0633 |
| Heavy Atoms | 21 |
| Complexity | 624.8085 |
Chemical Identifiers
| CAS Number | 306952-56-7 |
|---|---|
| SMILES | CC1=NNC(=O)C1CC(=O)N/N=C/C2=C(C=CC=C2Cl)F |
Product Overview
C13H12ClFN4O2 (CAS 306952-56-7), with molecular formula C13H12ClFN4O2 and molecular weight 310.06 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide.
Chemical Property Profile of C13H12ClFN4O2
Property Insights of C13H12ClFN4O2
The XLogP value of 1.4412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H12ClFN4O2. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H12ClFN4O2. Following Lipinski's Rule of Five, C13H12ClFN4O2 has 2 hydrogen bond donor(s) and 4 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 C13H12ClFN4O2?
The CAS number of C13H12ClFN4O2 is 306952-56-7.
What is the molecular formula of C13H12ClFN4O2?
The molecular formula of C13H12ClFN4O2 is C13H12ClFN4O2.
What is the molecular weight of C13H12ClFN4O2?
The molecular weight of C13H12ClFN4O2 is 310.06 g/mol.
Where can I buy C13H12ClFN4O2?
You can request a quote for C13H12ClFN4O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H12ClFN4O2?
Yes, KEHONG BIO provides custom synthesis services for C13H12ClFN4O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.