![1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine structure](/static/products/2982/298217-57-9.webp)
1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine
TL;DR: 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine (CAS 298217-57-9) is a chemical compound with molecular formula C20H23N5O5 and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine
Also Known As: 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine, 3-(2-(4-Nitro)-3-((2-phenoxyethyl)amino)anilino)-1-methylethoxy)-4-methyl-1,2,5-oxadiazole, 1,3-Benzenediamine, N1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-N3-(2-phenoxyethyl)-, 3-(2-{4-nitro-3-[(2-phenoxyethyl)amino]anilino}-1-methylethoxy)-4-methyl-1,2,5-oxadiazole
| Molecular Formula | C20H23N5O5 |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 3.65652 |
| Topological Polar Surface Area | 124.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 413.16992 |
| Heavy Atoms | 30 |
| Complexity | 963.23083 |
Chemical Identifiers
| CAS Number | 298217-57-9 |
|---|---|
| SMILES | CC1=NON=C1OC(C)CNC2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3 |
Product Overview
1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine (CAS 298217-57-9), with molecular formula C20H23N5O5 and molecular weight 413.17 g/mol. IUPAC: 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine.
Chemical Property Profile of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine
Property Insights of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine
The XLogP value of 3.65652 indicates that 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine. Following Lipinski's Rule of Five, 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine has 2 hydrogen bond donor(s) and 9 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 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine?
The CAS number of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine is 298217-57-9.
What is the molecular formula of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine?
The molecular formula of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine is C20H23N5O5.
What is the molecular weight of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine?
The molecular weight of 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine is 413.17 g/mol.
Where can I buy 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine?
You can request a quote for 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 1-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-4-nitro-3-N-(2-phenoxyethyl)benzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.