2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide (CAS 223485-52-7) is a chemical compound with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
Also Known As: BAS 01313809, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide, 2-(4,6-dimethylpyrimidin-2-ylthio)-N-(4-nitrophenyl)acetamide, 2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-(4-nitro-phenyl)-acetamide, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C14H14N4O3S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.73244 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.07867 |
| Heavy Atoms | 22 |
| Complexity | 683.4842 |
Chemical Identifiers
| CAS Number | 223485-52-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide (CAS 223485-52-7), with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
The XLogP value of 2.73244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide 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 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide is 223485-52-7.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide is C14H14N4O3S.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide is 318.08 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.