7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
TL;DR: 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole (CAS 714919-40-1) is a chemical compound with molecular formula C11H12ClN5O3 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Also Known As: 7-chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole, 7-chloro-5-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole, 5-chloro-3-(4-methylpiperazin-1-yl)-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene
| Molecular Formula | C11H12ClN5O3 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 1.5362 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.06287 |
| Heavy Atoms | 20 |
| Complexity | 665.3675 |
Chemical Identifiers
| CAS Number | 714919-40-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] |
Product Overview
7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole (CAS 714919-40-1), with molecular formula C11H12ClN5O3 and molecular weight 297.06 g/mol. IUPAC: 7-chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Property Insights of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 1.5362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 7 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 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 714919-40-1.
What is the molecular formula of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole is C11H12ClN5O3.
What is the molecular weight of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 297.06 g/mol.
Where can I buy 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.