![N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide structure](/static/products/4296/429654-56-8.webp)
N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide
TL;DR: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide (CAS 429654-56-8) is a chemical compound with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide
Also Known As: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide, N-(4-((7-(azepan-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)phenyl)acetamide, N-(4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
| Molecular Formula | C20H22N6O4 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 126.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17026 |
| Heavy Atoms | 30 |
| Complexity | 1070.8402 |
Chemical Identifiers
| CAS Number | 429654-56-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-] |
Product Overview
N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide (CAS 429654-56-8), with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol. IUPAC: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide.
Chemical Property Profile of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide
Property Insights of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide
The XLogP value of 4.2134 indicates that N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide. Following Lipinski's Rule of Five, N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide has 2 hydrogen bond donor(s) and 8 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-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide?
The CAS number of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide is 429654-56-8.
What is the molecular formula of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide?
The molecular formula of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide is C20H22N6O4.
What is the molecular weight of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide?
The molecular weight of N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide is 410.17 g/mol.
Where can I buy N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide?
You can request a quote for N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.