Z-Asp(OtBu)-bromomethylketone
TL;DR: Z-Asp(OtBu)-bromomethylketone (CAS 153088-76-7) is a chemical compound with molecular formula C17H22BrNO5 and molecular weight 399.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-5-bromo-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
Also Known As: Z-Asp(OtBu)-bromomethylketone, Z-Asp(OtBu)-bromomethyl ketone, acs.jmedchem.1c00409_ST.154, tert-Butyl (S)-3-(((benzyloxy)carbonyl)amino)-5-bromo-4-oxopentanoate, tert-butyl (3S)-5-bromo-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
Technical Specifications
| Molecular Formula | C17H22BrNO5 |
| Molecular Weight | 399.06815 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 399.06815 Da |
| Heavy Atoms | 24 |
| Complexity | 441.0 |
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)CBr)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | PBVFTOAYKLEQQO-ZDUSSCGKSA-N |
Chemical Property Profile of Z-Asp(OtBu)-bromomethylketone
Property Insights of Z-Asp(OtBu)-bromomethylketone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Z-Asp(OtBu)-bromomethylketone. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Z-Asp(OtBu)-bromomethylketone. Following Lipinski's Rule of Five, Z-Asp(OtBu)-bromomethylketone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Z-Asp(OtBu)-bromomethylketone?
The CAS number of Z-Asp(OtBu)-bromomethylketone is 153088-76-7.
What is the molecular formula of Z-Asp(OtBu)-bromomethylketone?
The molecular formula of Z-Asp(OtBu)-bromomethylketone is C17H22BrNO5.
What is the molecular weight of Z-Asp(OtBu)-bromomethylketone?
The molecular weight of Z-Asp(OtBu)-bromomethylketone is 399.06815 g/mol.
Where can I buy Z-Asp(OtBu)-bromomethylketone?
You can request a quote for Z-Asp(OtBu)-bromomethylketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Z-Asp(OtBu)-bromomethylketone?
Yes, CoreyChem provides custom synthesis services for Z-Asp(OtBu)-bromomethylketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.