3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide
TL;DR: 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide (CAS 335420-48-9) is a chemical compound with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-N-(4-fluoro-3-nitrophenyl)benzamide
Also Known As: 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide, 3-butoxy-N-(4-fluoro-3-nitrophenyl)benzamide, BAS 02243133, 3-Butoxy-N-(4-fluoro-3-nitro-phenyl)-benzamide, (3-butoxyphenyl)-N-(4-fluoro-3-nitrophenyl)carboxamide
| Molecular Formula | C17H17FN2O4 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 4.1651 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11725 |
| Heavy Atoms | 24 |
| Complexity | 749.1204 |
Chemical Identifiers
| CAS Number | 335420-48-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide (CAS 335420-48-9), with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol. IUPAC: 3-butoxy-N-(4-fluoro-3-nitrophenyl)benzamide.
Chemical Property Profile of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide
Property Insights of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide
The XLogP value of 4.1651 indicates that 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide. Following Lipinski's Rule of Five, 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide has 1 hydrogen bond donor(s) and 4 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 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide?
The CAS number of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide is 335420-48-9.
What is the molecular formula of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide?
The molecular formula of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide is C17H17FN2O4.
What is the molecular weight of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide?
The molecular weight of 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide is 332.12 g/mol.
Where can I buy 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide?
You can request a quote for 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-butoxy-N-{4-fluoro-3-nitrophenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.