2QuinCOAsnPhe(CHOHCH2)pipCONtBu
TL;DR: 2QuinCOAsnPhe(CHOHCH2)pipCONtBu (CAS 127852-92-0) is a chemical compound with molecular formula C34H44N6O5 and molecular weight 616.33734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Also Known As: 2QuinCOAsnPhe(CHOHCH2)pipCONtBu, 2QuinCOAsnPhe[CHOHCH2]pipCONtBu, Butanediamide, N1-(3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S-(1(1R*(R*),2R*),2R*))-, (S)1-((2-Quinolincarbonyl)Asn-decarbonylPhe(hydroxyethyl))-2-(N-tertbutylcarbamoyl)piperidine, (2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Technical Specifications
| Molecular Formula | C34H44N6O5 |
| Molecular Weight | 616.33734 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 616.33734 Da |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
| 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-DZUOILHNSA-N |
Chemical Property Profile of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu
Property Insights of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2QuinCOAsnPhe(CHOHCH2)pipCONtBu. The TPSA of 167.0 Ų indicates high polarity, suggesting 2QuinCOAsnPhe(CHOHCH2)pipCONtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2QuinCOAsnPhe(CHOHCH2)pipCONtBu has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu?
The CAS number of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu is 127852-92-0.
What is the molecular formula of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu?
The molecular formula of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu is C34H44N6O5.
What is the molecular weight of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu?
The molecular weight of 2QuinCOAsnPhe(CHOHCH2)pipCONtBu is 616.33734 g/mol.
Where can I buy 2QuinCOAsnPhe(CHOHCH2)pipCONtBu?
You can request a quote for 2QuinCOAsnPhe(CHOHCH2)pipCONtBu directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2QuinCOAsnPhe(CHOHCH2)pipCONtBu?
Yes, CoreyChem provides custom synthesis services for 2QuinCOAsnPhe(CHOHCH2)pipCONtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.