N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline
TL;DR: N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline (CAS 103300-91-0) is a chemical compound with molecular formula C25H34F3N3O6 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Lisinopril ester, Lisinopril Impurity 23, (S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-6-(2,2,2-trifluoroacetamido)hexanoyl)pyrrolidine-2-carboxylic acid, LISINOPRIL (ETHYL) ESTER, LISOPRIL ETHYL ESTER N6-TRIFLUORACETAMIDE
| Molecular Formula | C25H34F3N3O6 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 2.4335 |
| Topological Polar Surface Area | 125.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 529.24 |
| Heavy Atoms | 37 |
| Complexity | 912.6832 |
Chemical Identifiers
| CAS Number | 103300-91-0 |
|---|---|
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N2CCC[C@H]2C(=O)O |
Product Overview
N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline (CAS 103300-91-0), with molecular formula C25H34F3N3O6 and molecular weight 529.24 g/mol. IUPAC: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline
Property Insights of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline
The XLogP value of 2.4335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline. The TPSA of 125.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline. Following Lipinski's Rule of Five, N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline?
The CAS number of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline is 103300-91-0.
What is the molecular formula of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline?
The molecular formula of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline is C25H34F3N3O6.
What is the molecular weight of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline?
The molecular weight of N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline is 529.24 g/mol.
Where can I buy N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline?
You can request a quote for N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline?
Yes, KEHONG BIO provides custom synthesis services for N2-((S)-1-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysyl-L-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.