![3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid structure](/static/products/7090/709003-72-5.webp)
3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid
TL;DR: 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid (CAS 709003-72-5) is a chemical compound with molecular formula C18H18INO5 and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
Also Known As: 3-iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid, 3-Iodo-5-methoxy-4-(2-oxo-2-(phenethylamino)ethoxy)benzoic acid, 3-iodo-5-methoxy-4-(phenethylcarbamoylmethoxy)benzoic Acid, 3-iodo-5-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid, 3-iodo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]benzoic acid
| Molecular Formula | C18H18INO5 |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 2.7357 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.02298 |
| Heavy Atoms | 25 |
| Complexity | 748.6317 |
Chemical Identifiers
| CAS Number | 709003-72-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)I)OCC(=O)NCCC2=CC=CC=C2 |
Product Overview
3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid (CAS 709003-72-5), with molecular formula C18H18INO5 and molecular weight 455.02 g/mol. IUPAC: 3-iodo-5-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid.
Chemical Property Profile of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid
Property Insights of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid
The XLogP value of 2.7357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid. Following Lipinski's Rule of Five, 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic 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 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid?
The CAS number of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid is 709003-72-5.
What is the molecular formula of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid?
The molecular formula of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid is C18H18INO5.
What is the molecular weight of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid?
The molecular weight of 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid is 455.02 g/mol.
Where can I buy 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid?
You can request a quote for 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-5-methoxy-4-{2-oxo-2-[(2-phenylethyl)amino]ethoxy}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.