(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
TL;DR: (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid (CAS 42417-70-9) is a chemical compound with molecular formula C17H23NO6 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Also Known As: Cbz-MeAsp(OtBu)-OH, Cbz-N-Me-Asp(OtBu)-OH, Z-N-Me-Asp(OtBu)-OH . DCHA, (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid, (S)-2-((benzyloxycarbonyl)(methyl)amino)-4-tert-butoxy-4-oxobutanoic acid
| Molecular Formula | C17H23NO6 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.15253 |
| Heavy Atoms | 24 |
| Complexity | 578.4936 |
Chemical Identifiers
| CAS Number | 42417-70-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)O)N(C)C(=O)OCC1=CC=CC=C1 |
Product Overview
(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid (CAS 42417-70-9), with molecular formula C17H23NO6 and molecular weight 337.15 g/mol. IUPAC: (2S)-2-[methyl(phenylmethoxycarbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
Property Insights of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid 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
Frequently Asked Questions
What is the CAS number of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid?
The CAS number of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid is 42417-70-9.
What is the molecular formula of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular formula of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid is C17H23NO6.
What is the molecular weight of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular weight of (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid is 337.15 g/mol.
Where can I buy (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid?
You can request a quote for (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-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 (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.