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N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
TL;DR: N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide (CAS 548789-46-4) is a chemical compound with molecular formula C17H17FN2O5 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
Also Known As: N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide, N-(4-FLUOROPHENETHYL)-4,5-DIMETHOXY-2-NITROBENZAMIDE, (4,5-dimethoxy-2-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]carboxamide, Cambridge id 6822928
| Molecular Formula | C17H17FN2O5 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.7236 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.11215 |
| Heavy Atoms | 25 |
| Complexity | 777.35284 |
Chemical Identifiers
| CAS Number | 548789-46-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-])OC |
Product Overview
N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide (CAS 548789-46-4), with molecular formula C17H17FN2O5 and molecular weight 348.11 g/mol. IUPAC: N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
Property Insights of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
The XLogP value of 2.7236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide?
The CAS number of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide is 548789-46-4.
What is the molecular formula of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide?
The molecular formula of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide is C17H17FN2O5.
What is the molecular weight of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide?
The molecular weight of N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide is 348.11 g/mol.
Where can I buy N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide?
You can request a quote for N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.