N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone
TL;DR: N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone (CAS 5453-33-8) is a chemical compound with molecular formula C13H17ClN4O5 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one
Also Known As: Sid 768644, L-1-Chloro-3-(2,4-dinitroanilino)-7-aminoheptan-2-one, N(alpha)-2,4-Dinitrophenyllysine chloromethyl ketone, N-alpha-2,4-dinitrophenyllysine chloromethyl ketone, Nalpha-2,4-Dinitrophenyllysine chloromethyl ketone
| Molecular Formula | C13H17ClN4O5 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.08875 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 5453-33-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCCCN)C(=O)CCl |
| InChIKey | UBFCPAHNUUBJDI-NSHDSACASA-N |
Product Overview
N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone (CAS 5453-33-8), with molecular formula C13H17ClN4O5 and molecular weight 344.09 g/mol. IUPAC: (3S)-7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one.
Chemical Property Profile of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone
Property Insights of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone. The TPSA of 147.0 Ų indicates high polarity, suggesting N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone has 2 hydrogen bond donor(s) and 7 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(alpha)-2,4-dinitrophenyllysine chloromethyl ketone?
The CAS number of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone is 5453-33-8.
What is the molecular formula of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone?
The molecular formula of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone is C13H17ClN4O5.
What is the molecular weight of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone?
The molecular weight of N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone is 344.09 g/mol.
Where can I buy N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone?
You can request a quote for N(alpha)-2,4-dinitrophenyllysine 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)-2,4-dinitrophenyllysine chloromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-2,4-dinitrophenyllysine chloromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.