N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide
TL;DR: N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide (CAS 956753-52-9) is a chemical compound with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide
Also Known As: CBKinase1_010707, CBKinase1_023107, VU0507942-1, BRD-K31277737-001-01-0, N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide
| Molecular Formula | C12H12FN3O2S |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.714 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.06342 |
| Heavy Atoms | 19 |
| Complexity | 605.9371 |
Chemical Identifiers
| CAS Number | 956753-52-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSCC2=CC(=O)NN2)F |
Product Overview
N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide (CAS 956753-52-9), with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol. IUPAC: N-(4-fluorophenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide.
Chemical Property Profile of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide
Property Insights of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide
The XLogP value of 1.714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide has 3 hydrogen bond donor(s) and 3 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 N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide?
The CAS number of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide is 956753-52-9.
What is the molecular formula of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide?
The molecular formula of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide is C12H12FN3O2S.
What is the molecular weight of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide?
The molecular weight of N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide is 281.06 g/mol.
Where can I buy N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide?
You can request a quote for N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.