2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid
TL;DR: 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid (CAS 1004687-79-9) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-2-oxoethoxy)-5-chlorobenzoic acid
Also Known As: 2-(2-amino-2-oxoethoxy)-5-chlorobenzoic acid, 2-(carbamoylmethoxy)-5-chlorobenzoic acid, 2-(carbamoylmethoxy)-5-chloro-benzoic Acid, Ammonium,(4,6-dimethyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethyl-,diiodide
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 0.9023 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 405.09885 |
Chemical Identifiers
| CAS Number | 1004687-79-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)OCC(=O)N |
Product Overview
2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid (CAS 1004687-79-9), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: 2-(2-amino-2-oxoethoxy)-5-chlorobenzoic acid.
Chemical Property Profile of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid
Property Insights of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid
The XLogP value of 0.9023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid has 2 hydrogen bond donor(s) and 3 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 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid?
The CAS number of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid is 1004687-79-9.
What is the molecular formula of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid?
The molecular formula of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid is C9H8ClNO4.
What is the molecular weight of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid?
The molecular weight of 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid is 229.01 g/mol.
Where can I buy 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid?
You can request a quote for 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-2-oxoethoxy)-5-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.