1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate
TL;DR: 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate (CAS 63549-41-7) is a chemical compound with molecular formula C10H7N5O7 and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-yl] nitrate
Also Known As: 4-pyren-1-yl-butyroyl chloride, 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, nitrate (ester), 3-methyl-4-nitro-1-(4-nitrophenyl)-1h-pyrazol-5-yl nitrate, 3-Methyl-4-nitro-1- -1H-pyrazol-5-olnitrate, [5-methyl-4-nitro-2-(4-nitrophenyl)pyrazol-3-yl] nitrate
| Molecular Formula | C10H7N5O7 |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03455 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 63549-41-7 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])O[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LQHMXUYVPJEXGQ-UHFFFAOYSA-N |
Product Overview
1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate (CAS 63549-41-7), with molecular formula C10H7N5O7 and molecular weight 309.03 g/mol. IUPAC: [3-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-yl] nitrate.
Chemical Property Profile of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate
Property Insights of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate. The TPSA of 165.0 Ų indicates high polarity, suggesting 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate 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-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate?
The CAS number of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate is 63549-41-7.
What is the molecular formula of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate?
The molecular formula of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate is C10H7N5O7.
What is the molecular weight of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate?
The molecular weight of 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate is 309.03 g/mol.
Where can I buy 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate?
You can request a quote for 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-, 5-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.