4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate
TL;DR: 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate (CAS 15934-43-7) is a chemical compound with molecular formula C13H11N3O6S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylimino-(4-nitrophenoxy)-(4-nitrophenyl)-oxo-λ6-sulfane
Also Known As: 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate, 4-nitrophenyl 4-nitro-N-methylbenzenesulfonimidoate, methylimino-(4-nitrophenoxy)-(4-nitrophenyl)-oxo-, methylimino-(4-nitrophenoxy)-(4-nitrophenyl)-oxo-$l^{6}-sulfane, methylimino-(4-nitrophenoxy)-(4-nitrophenyl)-oxo-lambda6-sulfane
| Molecular Formula | C13H11N3O6S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.9537 |
| Topological Polar Surface Area | 124.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.03687 |
| Heavy Atoms | 23 |
| Complexity | 854.2835 |
Chemical Identifiers
| CAS Number | 15934-43-7 |
|---|---|
| SMILES | CN=S(=O)(C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate (CAS 15934-43-7), with molecular formula C13H11N3O6S and molecular weight 337.04 g/mol. IUPAC: methylimino-(4-nitrophenoxy)-(4-nitrophenyl)-oxo-λ6-sulfane.
Chemical Property Profile of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate
Property Insights of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate
The XLogP value of 2.9537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate. The TPSA of 124.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate. Following Lipinski's Rule of Five, 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate 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 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate?
The CAS number of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate is 15934-43-7.
What is the molecular formula of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate?
The molecular formula of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate is C13H11N3O6S.
What is the molecular weight of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate?
The molecular weight of 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate is 337.04 g/mol.
Where can I buy 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate?
You can request a quote for 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl N-methyl-4-nitrobenzenesulfonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.