尼氟灭酸
TL;DR: 尼氟灭酸 (CAS 4394-00-7) is a chemical compound with molecular formula C15H19FN6O7S2 and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼氟灭酸
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
| Molecular Formula | C15H19FN6O7S2 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 478.07407 |
| Heavy Atoms | 31 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 4394-00-7 |
|---|---|
| SMILES | COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSCF |
| InChIKey | MDQOYKCCGQEEHC-UHFFFAOYSA-N |
Product Overview
尼氟灭酸 (CAS 4394-00-7), with molecular formula C15H19FN6O7S2 and molecular weight 478.07 g/mol. IUPAC: 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.
Chemical Property Profile of 尼氟灭酸
Property Insights of 尼氟灭酸
The XLogP value of -1.8 indicates that 尼氟灭酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting 尼氟灭酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 尼氟滅酸 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 尼氟滅酸?
The CAS number of 尼氟滅酸 is 4394-00-7.
What is the molecular formula of 尼氟滅酸?
The molecular formula of 尼氟滅酸 is C15H19FN6O7S2.
What is the molecular weight of 尼氟滅酸?
The molecular weight of 尼氟滅酸 is 478.07 g/mol.
Where can I buy 尼氟滅酸?
You can request a quote for 尼氟滅酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼氟滅酸?
Yes, KEHONG BIO provides custom synthesis services for 尼氟滅酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.