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N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide (CAS 351898-47-0) is a chemical compound with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
Also Known As: BAS 01926692, BIM-0046111.P001, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide, N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-nitro-benzenesulfonamide, [2-(3,4-dimethoxyphenyl)ethyl][(2-nitrophenyl)sulfonyl]amine
| Molecular Formula | C16H18N2O6S |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 2.133 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.08856 |
| Heavy Atoms | 25 |
| Complexity | 866.6787 |
Chemical Identifiers
| CAS Number | 351898-47-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide (CAS 351898-47-0), with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
The XLogP value of 2.133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide is 351898-47-0.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide is C16H18N2O6S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide is 366.09 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.