1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)
TL;DR: 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) (CAS 63549-42-8) is a chemical compound with molecular formula C10H7N5O6 and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate
Also Known As: 4-pyren-1-yl-butyroyl chloride, 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime), [[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate, 1H-Pyrazole-4,5-dione,3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime), 3-Methyl-1-(4-nitrophenyl)-4-[[(nitro)oxy]imino]-1H-pyrazol-5(4H)-one
| Molecular Formula | C10H7N5O6 |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.03964 |
| Heavy Atoms | 21 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 63549-42-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=NO[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XRGPGOJFVLGCGD-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) (CAS 63549-42-8), with molecular formula C10H7N5O6 and molecular weight 293.04 g/mol. IUPAC: [[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate.
Chemical Property Profile of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)
Property Insights of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime). The TPSA of 146.0 Ų indicates high polarity, suggesting 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) has 0 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 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)?
The CAS number of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) is 63549-42-8.
What is the molecular formula of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)?
The molecular formula of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) is C10H7N5O6.
What is the molecular weight of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)?
The molecular weight of 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) is 293.04 g/mol.
Where can I buy 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)?
You can request a quote for 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.