2QuinCOAsnPhe(CHOHCH2)Pro-OtBu
TL;DR: 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu (CAS 127779-19-5) is a chemical compound with molecular formula C33H41N5O6 and molecular weight 603.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Also Known As: 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu, 2QuinCOAsnPhe[CHOHCH2]Pro-OtBu, (S)-1-((2R,3S)-3-((S)-3-Carbamoyl-2-((1-quinolin-2-yl-methanoyl)-amino)-propanoylamino)-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carboxylic acid, tert-butyl ester, L-Proline, 1-(3-((4-amino-1,4-dioxo-2-((2-quinolinylcarbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-, (S)-1-((2R,3S)-3-{(S)-3-Carbamoyl-2-[(1-quinolin-2-yl-methanoyl)-amino]-propanoylamino}-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carboxylic acid, tert-butyl ester
| Molecular Formula | C33H41N5O6 |
|---|---|
| Molecular Weight | 603.31 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 603.30566 |
| Heavy Atoms | 44 |
| Complexity | 996.0 |
Chemical Identifiers
| CAS Number | 127779-19-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O |
| InChIKey | LSUCVQHOHPYEHY-LAJGZZDBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2QuinCOAsnPhe(CHOHCH2)Pro-OtBu (CAS 127779-19-5), with molecular formula C33H41N5O6 and molecular weight 603.31 g/mol. IUPAC: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu
Property Insights of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu. The TPSA of 164.0 Ų indicates high polarity, suggesting 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu 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 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu?
The CAS number of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu is 127779-19-5.
What is the molecular formula of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu?
The molecular formula of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu is C33H41N5O6.
What is the molecular weight of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu?
The molecular weight of 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu is 603.31 g/mol.
Where can I buy 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu?
You can request a quote for 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu?
Yes, KEHONG BIO provides custom synthesis services for 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.