Phenylalanyl-alanyl-arginine chloromethyl ketone
TL;DR: Phenylalanyl-alanyl-arginine chloromethyl ketone (CAS 65319-55-3) is a chemical compound with molecular formula C19H29ClN6O3 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide
Also Known As: Phe-ala-arg-CK, Phe-ala-arg-chloromethyl ketone, Phenylalanyl-alanyl-arginine chloromethyl ketone, (2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide, L-Alaninamide, L-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (S)-
| Molecular Formula | C19H29ClN6O3 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 424.19897 |
| Heavy Atoms | 29 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 65319-55-3 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)N)N[C@@H](CCCN=C(N)N)C(=O)CCl |
| InChIKey | UXMGFTICECPEOA-QEJZJMRPSA-N |
Product Overview
Phenylalanyl-alanyl-arginine chloromethyl ketone (CAS 65319-55-3), with molecular formula C19H29ClN6O3 and molecular weight 424.20 g/mol. IUPAC: (2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide.
Chemical Property Profile of Phenylalanyl-alanyl-arginine chloromethyl ketone
Property Insights of Phenylalanyl-alanyl-arginine chloromethyl ketone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanyl-alanyl-arginine chloromethyl ketone. The TPSA of 166.0 Ų indicates high polarity, suggesting Phenylalanyl-alanyl-arginine chloromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenylalanyl-alanyl-arginine chloromethyl ketone has 5 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 Phenylalanyl-alanyl-arginine chloromethyl ketone?
The CAS number of Phenylalanyl-alanyl-arginine chloromethyl ketone is 65319-55-3.
What is the molecular formula of Phenylalanyl-alanyl-arginine chloromethyl ketone?
The molecular formula of Phenylalanyl-alanyl-arginine chloromethyl ketone is C19H29ClN6O3.
What is the molecular weight of Phenylalanyl-alanyl-arginine chloromethyl ketone?
The molecular weight of Phenylalanyl-alanyl-arginine chloromethyl ketone is 424.20 g/mol.
Where can I buy Phenylalanyl-alanyl-arginine chloromethyl ketone?
You can request a quote for Phenylalanyl-alanyl-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 Phenylalanyl-alanyl-arginine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanyl-alanyl-arginine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.