Iodotyrosyl-prolyl-arginyl chloromethyl ketone
TL;DR: Iodotyrosyl-prolyl-arginyl chloromethyl ketone (CAS 126251-21-6) is a chemical compound with molecular formula C21H30ClIN6O4 and molecular weight 596.10785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-amino-3-(4-hydroxy-3-(131I)iodophenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
Also Known As: 123I-Ypack, Iodotyrosyl-prolyl-arginyl chloromethyl ketone, (123)I-Tyrosylprolylarginyl chloromethyl ketone, Iodotyrosyl-prolyl-arginyl chloromethyl ketone, I123-labeled, 1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C21H30ClIN6O4 |
| Molecular Weight | 596.10785 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.10785 Da |
| Heavy Atoms | 33 |
| Complexity | 723.0 |
| SMILES | C1CC(N(C1)C(=O)C(CC2=CC(=C(C=C2)O)[131I])N)C(=O)NC(CCCN=C(N)N)C(=O)CCl |
| InChIKey | DRUDCIXYRLXCIP-AWUWEVMDSA-N |
Chemical Property Profile of Iodotyrosyl-prolyl-arginyl chloromethyl ketone
Property Insights of Iodotyrosyl-prolyl-arginyl chloromethyl ketone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodotyrosyl-prolyl-arginyl chloromethyl ketone. The TPSA of 177.0 Ų indicates high polarity, suggesting Iodotyrosyl-prolyl-arginyl chloromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iodotyrosyl-prolyl-arginyl chloromethyl ketone has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Iodotyrosyl-prolyl-arginyl chloromethyl ketone?
The CAS number of Iodotyrosyl-prolyl-arginyl chloromethyl ketone is 126251-21-6.
What is the molecular formula of Iodotyrosyl-prolyl-arginyl chloromethyl ketone?
The molecular formula of Iodotyrosyl-prolyl-arginyl chloromethyl ketone is C21H30ClIN6O4.
What is the molecular weight of Iodotyrosyl-prolyl-arginyl chloromethyl ketone?
The molecular weight of Iodotyrosyl-prolyl-arginyl chloromethyl ketone is 596.10785 g/mol.
Where can I buy Iodotyrosyl-prolyl-arginyl chloromethyl ketone?
You can request a quote for Iodotyrosyl-prolyl-arginyl chloromethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iodotyrosyl-prolyl-arginyl chloromethyl ketone?
Yes, CoreyChem provides custom synthesis services for Iodotyrosyl-prolyl-arginyl chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.