2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone
TL;DR: 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone (CAS 459205-61-9) is a chemical compound with molecular formula C13H16N2O6S2 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-morpholin-4-ylethanone
Also Known As: VU0509277-1, F3103-0072, 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone, 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-morpholin-4-ylethanone, 2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
| Molecular Formula | C13H16N2O6S2 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 0.9492 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04498 |
| Heavy Atoms | 23 |
| Complexity | 713.175 |
Chemical Identifiers
| CAS Number | 459205-61-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)N2CCOCC2)[N+](=O)[O-] |
Product Overview
2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone (CAS 459205-61-9), with molecular formula C13H16N2O6S2 and molecular weight 360.04 g/mol. IUPAC: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone
Property Insights of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone
The XLogP value of 0.9492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone has 0 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 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone?
The CAS number of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone is 459205-61-9.
What is the molecular formula of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone?
The molecular formula of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone is C13H16N2O6S2.
What is the molecular weight of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone?
The molecular weight of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone is 360.04 g/mol.
Where can I buy 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone?
You can request a quote for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.