4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid
TL;DR: 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid (CAS 1004687-82-4) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-amino-2-oxoethoxy)-3-chlorobenzoic acid
Also Known As: 4-(2-amino-2-oxoethoxy)-3-chlorobenzoic acid, 4-(carbamoylmethoxy)-3-chlorobenzoic acid, 4-(carbamoylmethoxy)-3-chloro-benzoic Acid, 4-(2-amino-2-oxo-ethoxy)-3-chloro-benzoic acid, A1-28794
Technical Specifications
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.01419 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.01419 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)OCC(=O)N |
| InChIKey | QKGTWHRMVRSOIM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid
Property Insights of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid. Following Lipinski's Rule of Five, 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic 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
What is the CAS number of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid?
The CAS number of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid is 1004687-82-4.
What is the molecular formula of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid?
The molecular formula of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid is C9H8ClNO4.
What is the molecular weight of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid?
The molecular weight of 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid is 229.01419 g/mol.
Where can I buy 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid?
You can request a quote for 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Amino-2-oxoethoxy)-3-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.