N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
TL;DR: N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide (CAS 126813-43-2) is a chemical compound with molecular formula C12H19ClN4O6S and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide;hydrochloride
Also Known As: ANNBS, N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide, N-(2-Aminoethyl)-N-methyl-4-(1-methyl-1-nitroethyl)-3-nitrobenzenesulfonamide monohydrochloride, N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide hydrochloride, N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide;hydrochloride
| Molecular Formula | C12H19ClN4O6S |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 1.1076 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.07138 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 126813-43-2 |
|---|---|
| SMILES | CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(C)CCN)[N+](=O)[O-])[N+](=O)[O-].Cl |
| InChIKey | PVNROONUSPJSFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide (CAS 126813-43-2), with molecular formula C12H19ClN4O6S and molecular weight 382.07 g/mol. IUPAC: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide;hydrochloride.
Chemical Property Profile of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
Property Insights of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide
The XLogP value of 1.1076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide. The TPSA of 163.0 Ų indicates high polarity, suggesting N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide has 2 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 N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide?
The CAS number of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide is 126813-43-2.
What is the molecular formula of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide?
The molecular formula of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide is C12H19ClN4O6S.
What is the molecular weight of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide?
The molecular weight of N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide is 382.07 g/mol.
Where can I buy N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide?
You can request a quote for N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Aminoethyl)-N-methyl-3-nitro-4-(1-methyl-1-nitroethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.