F3095-1418
TL;DR: F3095-1418 (CAS 301688-43-7) is a chemical compound with molecular formula C16H14ClN7O3S and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
Also Known As: F3095-1418, (E)-N'-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetohydrazide, N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-[(5-hydroxy-3-oxo-2,3-dihydro-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide, N-[(1E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl]-2-(3,5-dioxo(2H ,4H-1,2,4-triazin-6-ylthio))acetamide, N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
| Molecular Formula | C16H14ClN7O3S |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 0.84812 |
| Topological Polar Surface Area | 137.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.05673 |
| Heavy Atoms | 28 |
| Complexity | 1137.1299 |
Chemical Identifiers
| CAS Number | 301688-43-7 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=N/NC(=O)CSC2=NNC(=O)NC2=O)Cl)C3=CC=CC=C3 |
Product Overview
F3095-1418 (CAS 301688-43-7), with molecular formula C16H14ClN7O3S and molecular weight 419.06 g/mol. IUPAC: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of F3095-1418
Property Insights of F3095-1418
The XLogP value of 0.84812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3095-1418. The TPSA of 137.89 Ų falls within the moderate polarity range, balancing permeability and solubility for F3095-1418. Following Lipinski's Rule of Five, F3095-1418 has 3 hydrogen bond donor(s) and 7 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 F3095-1418?
The CAS number of F3095-1418 is 301688-43-7.
What is the molecular formula of F3095-1418?
The molecular formula of F3095-1418 is C16H14ClN7O3S.
What is the molecular weight of F3095-1418?
The molecular weight of F3095-1418 is 419.06 g/mol.
Where can I buy F3095-1418?
You can request a quote for F3095-1418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3095-1418?
Yes, KEHONG BIO provides custom synthesis services for F3095-1418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.