7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine
TL;DR: 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine (CAS 101237-15-4) is a chemical compound with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-propan-2-yl-2,1,3-benzoxadiazol-7-amine
Also Known As: 4-nitro-7-isopropylaminobenzofurazan, 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine, 4-i-Propylamino-7-nitrobenz-2,1,3-oxadiazol, 4-nitro-N-propan-2-yl-2,1,3-benzoxadiazol-7-amine, Isopropyl-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-amine
| Molecular Formula | C9H10N4O3 |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 1.9513 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07529 |
| Heavy Atoms | 16 |
| Complexity | 534.5337 |
Chemical Identifiers
| CAS Number | 101237-15-4 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
Product Overview
7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine (CAS 101237-15-4), with molecular formula C9H10N4O3 and molecular weight 222.08 g/mol. IUPAC: 4-nitro-N-propan-2-yl-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine
Property Insights of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine
The XLogP value of 1.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine has 1 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 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine?
The CAS number of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine is 101237-15-4.
What is the molecular formula of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine?
The molecular formula of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine is C9H10N4O3.
What is the molecular weight of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine?
The molecular weight of 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine is 222.08 g/mol.
Where can I buy 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine?
You can request a quote for 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.