4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine
TL;DR: 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine (CAS 35819-56-8) is a chemical compound with molecular formula C18H16I2N2O6 and molecular weight 609.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-3-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid
Also Known As: p-Nitrobenzyloxy-N-acetyldiiodotyrosine, para-Nitrobenzyloxy-N-acetyldiiodotyrosin, N-Acetyldiiodotyrosine p-nitrobenzyl ether, 4-Nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine, n-acetyl-3,5-diiodo-o-(4-nitrobenzyl)-l-tyrosine
| Molecular Formula | C18H16I2N2O6 |
|---|---|
| Molecular Weight | 609.91 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 609.9098 |
| Heavy Atoms | 28 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 35819-56-8 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OCC2=CC=C(C=C2)[N+](=O)[O-])I)C(=O)O |
| InChIKey | VTKCEYGBZFZQBM-INIZCTEOSA-N |
Product Overview
4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine (CAS 35819-56-8), with molecular formula C18H16I2N2O6 and molecular weight 609.91 g/mol. IUPAC: (2S)-2-acetamido-3-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid.
Chemical Property Profile of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine
Property Insights of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine
The XLogP value of 3.7 indicates that 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine. Following Lipinski's Rule of Five, 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine?
The CAS number of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine is 35819-56-8.
What is the molecular formula of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine?
The molecular formula of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine is C18H16I2N2O6.
What is the molecular weight of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine?
The molecular weight of 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine is 609.91 g/mol.
Where can I buy 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine?
You can request a quote for 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyloxy-N-acetyl-3,5-diiodotyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.