Diotyrosine I-131
TL;DR: Diotyrosine I-131 (CAS 14679-68-6) is a chemical compound with molecular formula C9H9I2NO3 and molecular weight 440.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(4-hydroxy-3,5-di(131I)iodophenyl)propanoic acid
Also Known As: Diotyrosine I 131, Diotyrosine I-131, Diotyrosine I 125, Diotyrosine I 131 [USAN], Diotyrosine I 131 (USAN)
| Molecular Formula | C9H9I2NO3 |
|---|---|
| Molecular Weight | 440.87 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.8705 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 14679-68-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[131I])O)[131I])C[C@@H](C(=O)O)N |
| InChIKey | NYPYHUZRZVSYKL-MRRCGLJLSA-N |
Product Overview
Diotyrosine I-131 (CAS 14679-68-6), with molecular formula C9H9I2NO3 and molecular weight 440.87 g/mol. IUPAC: (2S)-2-amino-3-(4-hydroxy-3,5-di(131I)iodophenyl)propanoic acid.
Chemical Property Profile of Diotyrosine I-131
Property Insights of Diotyrosine I-131
The XLogP value of -0.5 indicates that Diotyrosine I-131 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diotyrosine I-131. Following Lipinski's Rule of Five, Diotyrosine I-131 has 3 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 Diotyrosine I-131?
The CAS number of Diotyrosine I-131 is 14679-68-6.
What is the molecular formula of Diotyrosine I-131?
The molecular formula of Diotyrosine I-131 is C9H9I2NO3.
What is the molecular weight of Diotyrosine I-131?
The molecular weight of Diotyrosine I-131 is 440.87 g/mol.
Where can I buy Diotyrosine I-131?
You can request a quote for Diotyrosine I-131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diotyrosine I-131?
Yes, KEHONG BIO provides custom synthesis services for Diotyrosine I-131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.