Dansylalanyllysine chloromethyl ketone
TL;DR: Dansylalanyllysine chloromethyl ketone (CAS 70592-17-5) is a chemical compound with molecular formula C22H31ClN4O4S and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanamide
Also Known As: DALCK, Dansylalanyllysine chloromethyl ketone, Dansyl-ala-lys-chloromethyl ketone, Propanamide, N-(5-amino-1-(chloroacetyl)pentyl)-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, (S-(R*,R*))-, (2S)-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanamide
| Molecular Formula | C22H31ClN4O4S |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | 1.9943 |
| Topological Polar Surface Area | 121.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 482.17545 |
| Heavy Atoms | 32 |
| Complexity | 1059.0769 |
Chemical Identifiers
| CAS Number | 70592-17-5 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)CCl)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C |
Product Overview
Dansylalanyllysine chloromethyl ketone (CAS 70592-17-5), with molecular formula C22H31ClN4O4S and molecular weight 482.18 g/mol. IUPAC: (2S)-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanamide.
Chemical Property Profile of Dansylalanyllysine chloromethyl ketone
Property Insights of Dansylalanyllysine chloromethyl ketone
The XLogP value of 1.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dansylalanyllysine chloromethyl ketone. The TPSA of 121.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dansylalanyllysine chloromethyl ketone. Following Lipinski's Rule of Five, Dansylalanyllysine 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 Dansylalanyllysine chloromethyl ketone?
The CAS number of Dansylalanyllysine chloromethyl ketone is 70592-17-5.
What is the molecular formula of Dansylalanyllysine chloromethyl ketone?
The molecular formula of Dansylalanyllysine chloromethyl ketone is C22H31ClN4O4S.
What is the molecular weight of Dansylalanyllysine chloromethyl ketone?
The molecular weight of Dansylalanyllysine chloromethyl ketone is 482.18 g/mol.
Where can I buy Dansylalanyllysine chloromethyl ketone?
You can request a quote for Dansylalanyllysine chloromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dansylalanyllysine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Dansylalanyllysine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.