(2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
TL;DR: (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid (CAS 91103-47-8) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: Z-Asp(OMe)-OH, Cbz-Asp(OMe)-OH, Cbz-Asp(OMe)OH, N-CBZ-L-Aspartate, Z-ASP -OH
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 0.9291 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 473.00955 |
Chemical Identifiers
| CAS Number | 91103-47-8 |
|---|---|
| SMILES | COC(=O)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
Product Overview
(2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid (CAS 91103-47-8), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: (2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
Property Insights of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
The XLogP value of 0.9291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid?
The CAS number of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid is 91103-47-8.
What is the molecular formula of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid?
The molecular formula of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid is C13H15NO6.
What is the molecular weight of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid?
The molecular weight of (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid is 281.09 g/mol.
Where can I buy (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid?
You can request a quote for (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.