![2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone structure](/static/products/7012/701239-60-3.webp)
2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
TL;DR: 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 701239-60-3) is a chemical compound with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone
Also Known As: CBKinase1_006062, CBKinase1_018462, 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone, 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone, BRD-K39602007-001-01-4
| Molecular Formula | C13H11N3O3S |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 2.66822 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05212 |
| Heavy Atoms | 20 |
| Complexity | 643.5646 |
Chemical Identifiers
| CAS Number | 701239-60-3 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 701239-60-3), with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Property Insights of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
The XLogP value of 2.66822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone has 0 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-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The CAS number of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is 701239-60-3.
What is the molecular formula of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is C13H11N3O3S.
What is the molecular weight of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone is 289.05 g/mol.
Where can I buy 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.