ethyl N-acetyl-3,5-diiodotyrosinate
TL;DR: ethyl N-acetyl-3,5-diiodotyrosinate (CAS 21959-36-4) is a chemical compound with molecular formula C13H15I2NO4 and molecular weight 502.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Also Known As: N-Acetyl-3,5-diiodo-l-tyrosine ethyl ester, D-VALINE-OBZLP-TOSYLATE, N-Acetyl diiodotyrosine ethyl ester, ethyl N-acetyl-3,5-diiodotyrosinate, Ethyl N-acetyl-3,5-diiodo-L-tyrosinate
| Molecular Formula | C13H15I2NO4 |
|---|---|
| Molecular Weight | 502.91 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.90906 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 21959-36-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C(=C1)I)O)I)NC(=O)C |
| InChIKey | BPKHOPGWGZAARI-UHFFFAOYSA-N |
Product Overview
ethyl N-acetyl-3,5-diiodotyrosinate (CAS 21959-36-4), with molecular formula C13H15I2NO4 and molecular weight 502.91 g/mol. IUPAC: ethyl 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate.
Chemical Property Profile of ethyl N-acetyl-3,5-diiodotyrosinate
Property Insights of ethyl N-acetyl-3,5-diiodotyrosinate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-acetyl-3,5-diiodotyrosinate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-acetyl-3,5-diiodotyrosinate. Following Lipinski's Rule of Five, ethyl N-acetyl-3,5-diiodotyrosinate has 2 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 ethyl N-acetyl-3,5-diiodotyrosinate?
The CAS number of ethyl N-acetyl-3,5-diiodotyrosinate is 21959-36-4.
What is the molecular formula of ethyl N-acetyl-3,5-diiodotyrosinate?
The molecular formula of ethyl N-acetyl-3,5-diiodotyrosinate is C13H15I2NO4.
What is the molecular weight of ethyl N-acetyl-3,5-diiodotyrosinate?
The molecular weight of ethyl N-acetyl-3,5-diiodotyrosinate is 502.91 g/mol.
Where can I buy ethyl N-acetyl-3,5-diiodotyrosinate?
You can request a quote for ethyl N-acetyl-3,5-diiodotyrosinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-acetyl-3,5-diiodotyrosinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-acetyl-3,5-diiodotyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.