N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide
TL;DR: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide (CAS 135685-04-0) is a chemical compound with molecular formula C12H18N4O6S and molecular weight 346.09 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
Also Known As: BENZENESULFONAMIDE, N-(2-AMINOETHYL)-N-METHYL-4-, N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide, N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide, N-(2-Aminoethyl)-N-methyl-4-(1-methyl-1-nitroethyl)-3-nitrobenzenesulfonamide, N-Methyl-N-(2-aminoethyl)-4-(1-methyl-1-nitroethyl)-3-nitrobenzenesulfonamide
| Molecular Formula | C12H18N4O6S |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0947 |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 135685-04-0 |
|---|---|
| SMILES | CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(C)CCN)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GRGPXGNOIUAWRG-UHFFFAOYSA-N |
Product Overview
N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide (CAS 135685-04-0), with molecular formula C12H18N4O6S and molecular weight 346.09 g/mol. IUPAC: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide.
Chemical Property Profile of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide
Property Insights of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide. The TPSA of 163.0 Ų indicates high polarity, suggesting N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide has 1 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-(2-nitropropan-2-yl)benzene-1-sulfonamide?
The CAS number of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide is 135685-04-0.
What is the molecular formula of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide?
The molecular formula of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide is C12H18N4O6S.
What is the molecular weight of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide?
The molecular weight of N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide is 346.09 g/mol.
Where can I buy N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide?
You can request a quote for N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide 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-(2-nitropropan-2-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.