![(2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid structure](/static/products/966/96679-34-4.png)
(2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid
TL;DR: (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid (CAS 96679-34-4) is a chemical compound with molecular formula C13H13I2NO5 and molecular weight 516.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid
Also Known As: n,o-diacetyl-3,5-diiodo-l-tyrosine, 2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid, (S)-2-Acetamido-3-(4-acetoxy-3,5-diiodophenyl)propanoic acid, (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid, Levothyroxine Related Compound (2-Acetamido-3-(4-acetoxy-3,5-diiodophenyl)propanoic Acid)
| Molecular Formula | C13H13I2NO5 |
|---|---|
| Molecular Weight | 516.89 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.8883 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 96679-34-4 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC(=C(C(=C1)I)OC(=O)C)I)C(=O)O |
| InChIKey | GTMFTWZGTFWOSE-UHFFFAOYSA-N |
Product Overview
(2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid (CAS 96679-34-4), with molecular formula C13H13I2NO5 and molecular weight 516.89 g/mol. IUPAC: 2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid.
Chemical Property Profile of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid
Property Insights of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid?
The CAS number of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid is 96679-34-4.
What is the molecular formula of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid?
The molecular formula of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid is C13H13I2NO5.
What is the molecular weight of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid?
The molecular weight of (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid is 516.89 g/mol.
Where can I buy (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid?
You can request a quote for (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(acetylamino)-3-[4-(acetyloxy)-3,5-diiodophenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.