5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid
TL;DR: 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid (CAS 299405-25-7) is a chemical compound with molecular formula C6H6N4O6 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3,4-dinitropyrazol-1-yl)acetic acid
Also Known As: (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid, 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetic acid, 1H-Pyrazole-1-acetic acid, 5-methyl-3,4-dinitro-, 2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid, BAS 00398075
| Molecular Formula | C6H6N4O6 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 0.09252 |
| Topological Polar Surface Area | 141.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02873 |
| Heavy Atoms | 16 |
| Complexity | 477.60846 |
Chemical Identifiers
| CAS Number | 299405-25-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid (CAS 299405-25-7), with molecular formula C6H6N4O6 and molecular weight 230.03 g/mol. IUPAC: 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetic acid.
Chemical Property Profile of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid
Property Insights of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid
The XLogP value of 0.09252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid. The TPSA of 141.4 Ų indicates high polarity, suggesting 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid 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 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid?
The CAS number of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid is 299405-25-7.
What is the molecular formula of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid?
The molecular formula of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid is C6H6N4O6.
What is the molecular weight of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid?
The molecular weight of 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid is 230.03 g/mol.
Where can I buy 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid?
You can request a quote for 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.