![5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid structure](/static/products/2510/251097-82-2.webp)
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid
TL;DR: 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid (CAS 251097-82-2) is a chemical compound with molecular formula C11H9ClF3N3O3 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Also Known As: 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid, 4-(4-(4-fluorophenyl)piperazin-1-yl)aniline, 5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazole-3-carboxylic acid, 5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amin o}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid, 5-[3-Chloro-5-(trifluoromethyl)pyridin-2-ylamino]methyl-4,5-dihydroisoxazole-3-carboxylic acid
| Molecular Formula | C11H9ClF3N3O3 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.3952 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.02844 |
| Heavy Atoms | 21 |
| Complexity | 591.8116 |
Chemical Identifiers
| CAS Number | 251097-82-2 |
|---|---|
| SMILES | C1C(ON=C1C(=O)O)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid (CAS 251097-82-2), with molecular formula C11H9ClF3N3O3 and molecular weight 323.03 g/mol. IUPAC: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid
Property Insights of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid
The XLogP value of 2.3952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid. Following Lipinski's Rule of Five, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid has 2 hydrogen bond donor(s) and 5 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-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid?
The CAS number of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid is 251097-82-2.
What is the molecular formula of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid?
The molecular formula of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid is C11H9ClF3N3O3.
What is the molecular weight of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid?
The molecular weight of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid is 323.03 g/mol.
Where can I buy 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid?
You can request a quote for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.