![5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid structure](/static/products/3391/339101-05-2.webp)
5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid
TL;DR: 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid (CAS 339101-05-2) is a chemical compound with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Also Known As: 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid, 5-((2-Chlorobenzamido)methyl)-4,5-dihydroisoxazole-3-carboxylic acid, 5-{[(2-chlorophenyl)formamido]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylic acid, 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic Acid, chlorobenzoylaminomethyldihydroisoxazolecarboxylicacid
| Molecular Formula | C12H11ClN2O4 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 1.2993 |
| Topological Polar Surface Area | 87.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.04074 |
| Heavy Atoms | 19 |
| Complexity | 544.2858 |
Chemical Identifiers
| CAS Number | 339101-05-2 |
|---|---|
| SMILES | C1C(ON=C1C(=O)O)CNC(=O)C2=CC=CC=C2Cl |
Product Overview
5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid (CAS 339101-05-2), with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol. IUPAC: 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid
Property Insights of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid
The XLogP value of 1.2993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid. The TPSA of 87.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid. Following Lipinski's Rule of Five, 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid has 2 hydrogen bond donor(s) and 4 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-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid?
The CAS number of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid is 339101-05-2.
What is the molecular formula of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid?
The molecular formula of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid is C12H11ClN2O4.
What is the molecular weight of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid?
The molecular weight of 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid is 282.04 g/mol.
Where can I buy 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid?
You can request a quote for 5-{[(2-Chlorobenzoyl)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-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2-Chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.