![4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one structure](/static/products/799/799785-52-7.png)
4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 799785-52-7) is a chemical compound with molecular formula C19H19N7O4 and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-(7-Ethylamino-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3- one, 4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-{[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H19N7O4 |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.10422 |
| Topological Polar Surface Area | 133.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.14984 |
| Heavy Atoms | 30 |
| Complexity | 1304.1594 |
Chemical Identifiers
| CAS Number | 799785-52-7 |
|---|---|
| SMILES | CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 799785-52-7), with molecular formula C19H19N7O4 and molecular weight 409.15 g/mol. IUPAC: 4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.10422 indicates that 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 2 hydrogen bond donor(s) and 8 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-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 799785-52-7.
What is the molecular formula of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C19H19N7O4.
What is the molecular weight of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 409.15 g/mol.
Where can I buy 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.