![4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol structure](/static/products/101/101237-25-6.webp)
4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
TL;DR: 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol (CAS 101237-25-6) is a chemical compound with molecular formula C12H8N4O4 and molecular weight 272.05457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenol
Also Known As: BAS 01237307, 4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol, 4-[(7-Nitrobenzofurazane-4-yl)amino]phenol, J1.918.136G, AB00076412-01
Technical Specifications
| Molecular Formula | C12H8N4O4 |
| Molecular Weight | 272.05457 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.05457 Da |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
| SMILES | C1=CC(=CC=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-])O |
| InChIKey | XXPDUJOIUKXXHZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
Property Insights of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol. Following Lipinski's Rule of Five, 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol?
The CAS number of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol is 101237-25-6.
What is the molecular formula of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol?
The molecular formula of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol is C12H8N4O4.
What is the molecular weight of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol?
The molecular weight of 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol is 272.05457 g/mol.
Where can I buy 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol?
You can request a quote for 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol?
Yes, CoreyChem provides custom synthesis services for 4-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.