Alanyl-alanyl-phenylalanine chloromethyl ketone
TL;DR: Alanyl-alanyl-phenylalanine chloromethyl ketone (CAS 1021298-13-4) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]propanamide
Also Known As: AAPCK, AAF-chloromethylketone, AAF-CMK, Ala-ala-phe-chloromethyl ketone, Alanyl-alanyl-phenylalanine chloromethyl ketone
Technical Specifications
| Molecular Formula | C16H22ClN3O3 |
| Molecular Weight | 339.13498 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.13498 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)N |
| InChIKey | TXTWGNHCLZWABT-GVXVVHGQSA-N |
Chemical Property Profile of Alanyl-alanyl-phenylalanine chloromethyl ketone
Property Insights of Alanyl-alanyl-phenylalanine chloromethyl ketone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanyl-alanyl-phenylalanine chloromethyl ketone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanyl-alanyl-phenylalanine chloromethyl ketone. Following Lipinski's Rule of Five, Alanyl-alanyl-phenylalanine chloromethyl ketone has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alanyl-alanyl-phenylalanine chloromethyl ketone?
The CAS number of Alanyl-alanyl-phenylalanine chloromethyl ketone is 1021298-13-4.
What is the molecular formula of Alanyl-alanyl-phenylalanine chloromethyl ketone?
The molecular formula of Alanyl-alanyl-phenylalanine chloromethyl ketone is C16H22ClN3O3.
What is the molecular weight of Alanyl-alanyl-phenylalanine chloromethyl ketone?
The molecular weight of Alanyl-alanyl-phenylalanine chloromethyl ketone is 339.13498 g/mol.
Where can I buy Alanyl-alanyl-phenylalanine chloromethyl ketone?
You can request a quote for Alanyl-alanyl-phenylalanine chloromethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanyl-alanyl-phenylalanine chloromethyl ketone?
Yes, CoreyChem provides custom synthesis services for Alanyl-alanyl-phenylalanine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.