3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide
TL;DR: 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 56799-43-0) is a chemical compound with molecular formula C11H13N3O6S and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-N-methyl-1,1-dioxothiolan-3-amine
Also Known As: F0848-0193, 3-[(2,4-dinitrophenyl)(methyl)amino]-1lambda6-thiolane-1,1-dione, N-(2,4-dinitrophenyl)-N-methyl-1,1-dioxothiolan-3-amine, 3-((2,4-dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide, 3-[(2,4-dinitrophenyl)methylamino]thiolane-1,1-dione
| Molecular Formula | C11H13N3O6S |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 1.1263 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05252 |
| Heavy Atoms | 21 |
| Complexity | 701.91016 |
Chemical Identifiers
| CAS Number | 56799-43-0 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 56799-43-0), with molecular formula C11H13N3O6S and molecular weight 315.05 g/mol. IUPAC: N-(2,4-dinitrophenyl)-N-methyl-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide
Property Insights of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide
The XLogP value of 1.1263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide 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 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide?
The CAS number of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide is 56799-43-0.
What is the molecular formula of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide is C11H13N3O6S.
What is the molecular weight of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide is 315.05 g/mol.
Where can I buy 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,4-Dinitrophenyl)(methyl)amino)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.