![1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone structure](/static/products/799/799779-34-3.png)
1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
TL;DR: 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone (CAS 799779-34-3) is a chemical compound with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone
Also Known As: 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone, 1-[4-[[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone, 1-(4-((7-(3-methylpiperidin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)phenyl)ethanone
| Molecular Formula | C20H21N5O4 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 4.3135 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.15936 |
| Heavy Atoms | 29 |
| Complexity | 1076.4152 |
Chemical Identifiers
| CAS Number | 799779-34-3 |
|---|---|
| SMILES | CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)C |
Product Overview
1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone (CAS 799779-34-3), with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol. IUPAC: 1-[4-[[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone.
Chemical Property Profile of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
Property Insights of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
The XLogP value of 4.3135 indicates that 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone has 1 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 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The CAS number of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is 799779-34-3.
What is the molecular formula of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The molecular formula of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is C20H21N5O4.
What is the molecular weight of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The molecular weight of 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is 395.16 g/mol.
Where can I buy 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
You can request a quote for 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.