Isotrityrosine
TL;DR: Isotrityrosine (CAS 77533-78-9) is a chemical compound with molecular formula C27H29N3O9 and molecular weight 539.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid
Also Known As: Isotrityrosine, 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid, (1,1'-Biphenyl)-3,3'-dipropanoic acid, alpha,alpha'-diamino-6-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy)-6'-hydroxy-, 2-amino-3-[3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid, 2-amino-3-[4-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenoxy]-3-[5-(2-amino-3-hydroxy-3-oxopropyl)-2-hydroxyphenyl]phenyl]propanoic acid
| Molecular Formula | C27H29N3O9 |
|---|---|
| Molecular Weight | 539.19 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 539.19037 |
| Heavy Atoms | 39 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 77533-78-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)OC3=C(C=CC(=C3)CC(C(=O)O)N)O)O |
| InChIKey | RSHIWRXCRSATFW-UHFFFAOYSA-N |
Product Overview
Isotrityrosine (CAS 77533-78-9), with molecular formula C27H29N3O9 and molecular weight 539.19 g/mol. IUPAC: 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid.
Chemical Property Profile of Isotrityrosine
Property Insights of Isotrityrosine
The XLogP value of -5.6 indicates that Isotrityrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.0 Ų indicates high polarity, suggesting Isotrityrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isotrityrosine has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isotrityrosine?
The CAS number of Isotrityrosine is 77533-78-9.
What is the molecular formula of Isotrityrosine?
The molecular formula of Isotrityrosine is C27H29N3O9.
What is the molecular weight of Isotrityrosine?
The molecular weight of Isotrityrosine is 539.19 g/mol.
Where can I buy Isotrityrosine?
You can request a quote for Isotrityrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotrityrosine?
Yes, KEHONG BIO provides custom synthesis services for Isotrityrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.