2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid
TL;DR: 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid (CAS 13080-22-3) is a chemical compound with molecular formula C12H12I3NO4 and molecular weight 614.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]acetic acid
Also Known As: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]acetic acid, ACETIC ACID, (3-(N-ETHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-, (3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)acetic acid, [3-(N-Ethylacetylamino)-2,4,6-triiodophenoxy]acetic acid, [3-(N-Ethylacetamido)-2,4,6-triiodophenoxy]acetic acid
| Molecular Formula | C12H12I3NO4 |
|---|---|
| Molecular Weight | 614.79 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 614.7901 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 13080-22-3 |
|---|---|
| SMILES | CCN(C1=C(C(=C(C=C1I)I)OCC(=O)O)I)C(=O)C |
| InChIKey | RKPZPYBAPOBEOT-UHFFFAOYSA-N |
Product Overview
2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid (CAS 13080-22-3), with molecular formula C12H12I3NO4 and molecular weight 614.79 g/mol. IUPAC: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]acetic acid.
Chemical Property Profile of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid
Property Insights of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid
The XLogP value of 3.2 indicates that 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid?
The CAS number of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid is 13080-22-3.
What is the molecular formula of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid?
The molecular formula of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid is C12H12I3NO4.
What is the molecular weight of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid?
The molecular weight of 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid is 614.79 g/mol.
Where can I buy 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid?
You can request a quote for 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.