niflumic acid
TL;DR: niflumic acid (CAS 4394-00-7) is a chemical compound with molecular formula C15H19FN6O7S2 and molecular weight 478.07407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[[2-(fluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: niflumic acid, 2-(3-(Trifluoromethyl)phenylamino)nicotinic acid, 7-({[(fluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(fluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C15H19FN6O7S2 |
| Molecular Weight | 478.07407 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 478.07407 Da |
| Heavy Atoms | 31 |
| Complexity | 761.0 |
| SMILES | COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSCF |
| InChIKey | MDQOYKCCGQEEHC-UHFFFAOYSA-N |
Product Description
Applications: niflumic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
niflumic acid (CAS 4394-00-7) is a fine chemical with the molecular formula C15H19FN6O7S2 and a molecular weight of 478.07 g/mol. Synonyms include niflumic acid and 2-(3-(Trifluoromethyl)phenylamino)nicotinic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of niflumic acid
Property Insights of niflumic acid
The XLogP value of -1.8 indicates that niflumic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting niflumic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, niflumic acid has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of niflumic acid?
The CAS number of niflumic acid is 4394-00-7.
What is the molecular formula of niflumic acid?
The molecular formula of niflumic acid is C15H19FN6O7S2.
What is the molecular weight of niflumic acid?
The molecular weight of niflumic acid is 478.07407 g/mol.
What are the applications of niflumic acid?
niflumic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy niflumic acid?
You can request a quote for niflumic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for niflumic acid?
Yes, CoreyChem provides custom synthesis services for niflumic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.