![[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid structure](/static/products/104/1046469-57-1.png)
[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid
TL;DR: [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid (CAS 1046469-57-1) is a chemical compound with molecular formula C6H7N3O6S and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfonyl]acetic acid
Also Known As: [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid|2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfonyl]acetic Acid|2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl)acetic acid|2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid|(5-Methyl-4-nitro-2 H -pyrazole-3-sulfonyl)-acetic acid|(5-methyl-4-nitro-1H-pyrazol-3-ylsulfonyl)acetic acid|(5-METHYL-4-NITRO-2H-PYRAZOLE-3-SULFONYL)-ACETIC ACID|2-(3-methyl-4-nitro-1H-pyrazole-5-sulfonyl)acetic acid|2-[(3-methyl-4-nitropyrazol-5-yl)sulfonyl]acetic acid|2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl)aceticacid|MFCD04967437|EN300-83664
| Molecular Formula | C6H7N3O6S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | -0.51538 |
| Topological Polar Surface Area | 143.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.00555 |
| Heavy Atoms | 16 |
| Complexity | 544.61017 |
Chemical Identifiers
| CAS Number | 1046469-57-1 |
|---|---|
| SMILES | CC1=C(C(=NN1)S(=O)(=O)CC(=O)O)[N+](=O)[O-] |
Product Overview
[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid (CAS 1046469-57-1), with molecular formula C6H7N3O6S and molecular weight 249.01 g/mol. IUPAC: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfonyl]acetic acid.
Chemical Property Profile of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid
Property Insights of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid
The XLogP value of -0.51538 indicates that [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.26 Ų indicates high polarity, suggesting [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid has 2 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 [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid?
The CAS number of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid is 1046469-57-1.
What is the molecular formula of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid?
The molecular formula of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid is C6H7N3O6S.
What is the molecular weight of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid?
The molecular weight of [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid is 249.01 g/mol.
Where can I buy [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid?
You can request a quote for [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfonyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.