4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
TL;DR: 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate (CAS 5545-52-8) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: Z-Asp(OtBu)-OH, Cbz-Asp(OBut)-OH, Cbz-Asp(OtBu)-OH, z-asp(otbu)-oh.dcha, Z-Asp-OtBu
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H21NO6 |
| Molecular Weight | 323.1369 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.1369 Da |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | HLSLRFBLVZUVIE-LBPRGKRZSA-N |
Chemical Property Profile of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
Property Insights of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate. Following Lipinski's Rule of Five, 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate?
The CAS number of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate is 5545-52-8.
What is the molecular formula of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate?
The molecular formula of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate is C16H21NO6.
What is the molecular weight of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate?
The molecular weight of 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate is 323.1369 g/mol.
Where can I buy 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate?
You can request a quote for 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.