N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone
TL;DR: N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone (CAS 115290-74-9) is a chemical compound with molecular formula C25H35ClN6O5S and molecular weight 566.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[[(2R)-1-[[(2S)-1-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ethanethioate
Also Known As: Ata-fpr-CK, N(alpha)-((Acethylthio)acetyl)-phe-pro-arg-Ch2Cl, N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone, S-[2-[[(2R)-1-[[(2S)-1-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ethanethioate, L-Prolinamide, N-((acetylthio)acetyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (S)-
| Molecular Formula | C25H35ClN6O5S |
|---|---|
| Molecular Weight | 566.21 g/mol |
| LogP | 0.3309 |
| Topological Polar Surface Area | 177.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 566.2078 |
| Heavy Atoms | 38 |
| Complexity | 1020.7559 |
Chemical Identifiers
| CAS Number | 115290-74-9 |
|---|---|
| SMILES | CC(=O)SCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@@H]2CCCN2[C@@H](CCCN=C(N)N)C(=O)CCl |
Product Overview
N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone (CAS 115290-74-9), with molecular formula C25H35ClN6O5S and molecular weight 566.21 g/mol. IUPAC: S-[2-[[(2R)-1-[[(2S)-1-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ethanethioate.
Chemical Property Profile of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone
Property Insights of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone
The XLogP value of 0.3309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone. The TPSA of 177.05 Ų indicates high polarity, suggesting N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone?
The CAS number of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone is 115290-74-9.
What is the molecular formula of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone?
The molecular formula of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone is C25H35ClN6O5S.
What is the molecular weight of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone?
The molecular weight of N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone is 566.21 g/mol.
Where can I buy N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone?
You can request a quote for N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine 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(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-((Acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.