4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole
TL;DR: 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole (CAS 61785-63-5) is a chemical compound with molecular formula C10H10N4O4 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-oxido-4-pyrrolidin-1-yl-2,1,3-benzoxadiazol-3-ium
Also Known As: J3.245.002D, 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole, 7-(Pyrrolidine-1-yl)-4-nitro-2,1,3-benzooxadiazole 1-oxide, 7-nitro-3-oxido-4-pyrrolidin-1-yl-2,1,3-benzoxadiazol-3-ium, 4-NITRO-7-(PYRROLIDIN-1-YL)-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE
| Molecular Formula | C10H10N4O4 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0702 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 61785-63-5 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | ZXETUAAJIUXHMI-UHFFFAOYSA-N |
Product Overview
4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole (CAS 61785-63-5), with molecular formula C10H10N4O4 and molecular weight 250.07 g/mol. IUPAC: 7-nitro-3-oxido-4-pyrrolidin-1-yl-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole
Property Insights of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 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 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole is 61785-63-5.
What is the molecular formula of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole is C10H10N4O4.
What is the molecular weight of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole is 250.07 g/mol.
Where can I buy 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.