Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate
TL;DR: Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate (CAS 60376-73-0) is a chemical compound with molecular formula C17H17N3O7S and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylaminomethylideneamino)sulfonyl-5-nitro-4-phenoxybenzoate
Also Known As: Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate, methyl 3-(dimethylaminomethylideneamino)sulfonyl-5-nitro-4-phenoxybenzoate, methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-5-nitro-4-phenoxybenzoate, Methyl 3-{[(dimethylamino)methylidene]sulfamoyl}-5-nitro-4-phenoxybenzoate, 3-[[[(Dimethylamino)methylene]amino]sulfonyl]-5-nitro-4-phenoxybenzoic acid methyl ester
| Molecular Formula | C17H17N3O7S |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.07874 |
| Heavy Atoms | 28 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 60376-73-0 |
|---|---|
| SMILES | CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | YPJZKQJKYXBDDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate (CAS 60376-73-0), with molecular formula C17H17N3O7S and molecular weight 407.08 g/mol. IUPAC: methyl 3-(dimethylaminomethylideneamino)sulfonyl-5-nitro-4-phenoxybenzoate.
Chemical Property Profile of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate
Property Insights of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate. Following Lipinski's Rule of Five, Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate has 0 hydrogen bond donor(s) and 8 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 Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate?
The CAS number of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate is 60376-73-0.
What is the molecular formula of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate?
The molecular formula of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate is C17H17N3O7S.
What is the molecular weight of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate?
The molecular weight of Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate is 407.08 g/mol.
Where can I buy Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate?
You can request a quote for Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-5-nitro-4-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.