(R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu
TL;DR: (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu (CAS 127749-99-9) is a chemical compound with molecular formula C34H44N6O5 and molecular weight 616.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Also Known As: (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu, (R)2QuinCOAsnPhe[CHOHCH2]PipCONHtBu, Butanediamide, N1-((1S,2R)-3-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-, N-tert-Butyl-1-(2(R)-hydroxy-3(S)-((N-(2-quinolylcarbonyl)-L-asparaginyl)amino)-4-phenylbutyl)-2(S)piperidinecarboxamide, (2S)-N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
| Molecular Formula | C34H44N6O5 |
|---|---|
| Molecular Weight | 616.34 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 616.33734 |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 127749-99-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCCN1C[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 | PWAMRQBZIMSSPD-XFTNXAEASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu (CAS 127749-99-9), with molecular formula C34H44N6O5 and molecular weight 616.34 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide.
Chemical Property Profile of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu
Property Insights of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu. The TPSA of 167.0 Ų indicates high polarity, suggesting (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu?
The CAS number of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu is 127749-99-9.
What is the molecular formula of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu?
The molecular formula of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu is C34H44N6O5.
What is the molecular weight of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu?
The molecular weight of (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu is 616.34 g/mol.
Where can I buy (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu?
You can request a quote for (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu?
Yes, KEHONG BIO provides custom synthesis services for (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.