N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
TL;DR: N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 455322-68-6) is a chemical compound with molecular formula C12H9FN4O3S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: N-(4-fluoro-3-nitrophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide, N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide, N-(4-fluoro-3-nitrophenyl)-2-(2-pyrimidinylsulfanyl)acetamide, N-(4-Fluoro-3-nitrophenyl)-2-(pyrimidin-2-ylthio)acetamide, N-(4-FLUORO-3-NITROPHENYL)-2-(2-PYRIMIDINYLTHIO)ACETAMIDE
| Molecular Formula | C12H9FN4O3S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.2547 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.03793 |
| Heavy Atoms | 21 |
| Complexity | 668.80707 |
Chemical Identifiers
| CAS Number | 455322-68-6 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 455322-68-6), with molecular formula C12H9FN4O3S and molecular weight 308.04 g/mol. IUPAC: N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Property Insights of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
The XLogP value of 2.2547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide has 1 hydrogen bond donor(s) and 6 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-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The CAS number of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide is 455322-68-6.
What is the molecular formula of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular formula of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide is C12H9FN4O3S.
What is the molecular weight of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular weight of N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide is 308.04 g/mol.
Where can I buy N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
You can request a quote for N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluoro-3-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.