![Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester structure](/static/products/7536/7536-58-5.webp)
Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
TL;DR: Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester (CAS 7536-58-5) is a chemical compound with molecular formula C16H20NO6- and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoate
Also Known As: 4-Benzyl N-(tert-Butoxycarbonyl)-L-aspartate, Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester, t-Butyloxycarbonylaspartic acid alpha-benzyl ester, (S)-4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate, 4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
| Molecular Formula | C16H20NO6- |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 0.7631 |
| Topological Polar Surface Area | 104.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.12906 |
| Heavy Atoms | 23 |
| Complexity | 549.4389 |
Chemical Identifiers
| CAS Number | 7536-58-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)[O-] |
Product Overview
Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester (CAS 7536-58-5), with molecular formula C16H20NO6- and molecular weight 322.13 g/mol. IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoate.
Chemical Property Profile of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
Property Insights of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
The XLogP value of 0.7631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester. The TPSA of 104.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester. Following Lipinski's Rule of Five, Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester has 1 hydrogen bond donor(s) and 6 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 Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester?
The CAS number of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester is 7536-58-5.
What is the molecular formula of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester?
The molecular formula of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester is C16H20NO6-.
What is the molecular weight of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester?
The molecular weight of Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester is 322.13 g/mol.
Where can I buy Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester?
You can request a quote for Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.