N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide
TL;DR: N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide (CAS 898119-93-2) is a chemical compound with molecular formula C16H11ClN4O4 and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
Also Known As: N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide, N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide, N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitrobenzamide
| Molecular Formula | C16H11ClN4O4 |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 3.2282 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.04688 |
| Heavy Atoms | 25 |
| Complexity | 923.894 |
Chemical Identifiers
| CAS Number | 898119-93-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide (CAS 898119-93-2), with molecular formula C16H11ClN4O4 and molecular weight 358.05 g/mol. IUPAC: N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide.
Chemical Property Profile of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide
Property Insights of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide
The XLogP value of 3.2282 indicates that N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide 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-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide?
The CAS number of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide is 898119-93-2.
What is the molecular formula of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide?
The molecular formula of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide is C16H11ClN4O4.
What is the molecular weight of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide?
The molecular weight of N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide is 358.05 g/mol.
Where can I buy N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide?
You can request a quote for N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.