![2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol structure](/static/products/489/489443-93-8.png)
2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol
TL;DR: 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol (CAS 489443-93-8) is a chemical compound with molecular formula C19H22N6O4 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]ethanol
Also Known As: 2-(4-(6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)piperazin-1-yl)ethanol, 2-[4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]ethanol, 2-{4-[6-(benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol
| Molecular Formula | C19H22N6O4 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 1.8574 |
| Topological Polar Surface Area | 120.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.17026 |
| Heavy Atoms | 29 |
| Complexity | 985.03296 |
Chemical Identifiers
| CAS Number | 489443-93-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4 |
Product Overview
2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol (CAS 489443-93-8), with molecular formula C19H22N6O4 and molecular weight 398.17 g/mol. IUPAC: 2-[4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol
Property Insights of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol
The XLogP value of 1.8574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol. The TPSA of 120.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol. Following Lipinski's Rule of Five, 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol 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 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol?
The CAS number of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol is 489443-93-8.
What is the molecular formula of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol?
The molecular formula of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol is C19H22N6O4.
What is the molecular weight of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol?
The molecular weight of 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol is 398.17 g/mol.
Where can I buy 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol?
You can request a quote for 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[6-(Benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]piperazin-1-yl}ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.