2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone
TL;DR: 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone (CAS 459205-13-1) is a chemical compound with molecular formula C12H13N3O6S and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1-morpholin-4-ylethanone
Also Known As: 2-((2,4-dinitrophenyl)thio)-1-morpholinoethanone, VU0509268-1, 2-(2,4-dinitrophenyl)sulfanyl-1-morpholin-4-ylethanone, 2-(2,4-dinitrophenylthio)-1-morpholin-4-ylethan-1-one, 2-[(2,4-dinitrophenyl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
| Molecular Formula | C12H13N3O6S |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 1.4539 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.05252 |
| Heavy Atoms | 22 |
| Complexity | 602.5244 |
Chemical Identifiers
| CAS Number | 459205-13-1 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone (CAS 459205-13-1), with molecular formula C12H13N3O6S and molecular weight 327.05 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone
Property Insights of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone
The XLogP value of 1.4539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((2,4-Dinitrophenyl)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-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone?
The CAS number of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone is 459205-13-1.
What is the molecular formula of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone?
The molecular formula of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone is C12H13N3O6S.
What is the molecular weight of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone?
The molecular weight of 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone is 327.05 g/mol.
Where can I buy 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone?
You can request a quote for 2-((2,4-Dinitrophenyl)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-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-Dinitrophenyl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.