N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone
TL;DR: N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone (CAS 38104-40-4) is a chemical compound with molecular formula C17H27ClN4O5 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-1-[(2S)-4-chloro-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Aapack, N-Acetyl-ala-ala-pro-ala-chloromethyl ketone, N-Acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone, (2S)-N-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-1-[(2S)-4-chloro-3-oxobutan-2-yl]pyrrolidine-2-carboxamide, L-Prolinamide, N-acetyl-L-alanyl-L-alanyl-N-(3-chloro-1-methyl-2-oxopropyl)-, (S)-
| Molecular Formula | C17H27ClN4O5 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | -0.6807 |
| Topological Polar Surface Area | 124.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.167 |
| Heavy Atoms | 27 |
| Complexity | 612.13116 |
Chemical Identifiers
| CAS Number | 38104-40-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)CCl)NC(=O)C |
Product Overview
N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone (CAS 38104-40-4), with molecular formula C17H27ClN4O5 and molecular weight 402.17 g/mol. IUPAC: (2S)-N-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-1-[(2S)-4-chloro-3-oxobutan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone
Property Insights of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone
The XLogP value of -0.6807 indicates that N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone. Following Lipinski's Rule of Five, N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone has 3 hydrogen bond donor(s) and 6 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 N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone?
The CAS number of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone is 38104-40-4.
What is the molecular formula of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone?
The molecular formula of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone is C17H27ClN4O5.
What is the molecular weight of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone?
The molecular weight of N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone is 402.17 g/mol.
Where can I buy N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone?
You can request a quote for N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for N-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.