t-Butyloxycarbonylaspartic acid alpha-benzyl ester
TL;DR: t-Butyloxycarbonylaspartic acid alpha-benzyl ester (CAS 51186-58-4) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: Boc-Asp(OBzl)-OH, Boc-D-Asp(OBzl)-OH, Boc-Asp-OBzl, Boc-D-Asp-OBzl, Boc-L-Asp(OBzl)-OH
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
| Solubility | >48.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 51186-58-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)O |
| InChIKey | SOHLZANWVLCPHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
t-Butyloxycarbonylaspartic acid alpha-benzyl ester (CAS 51186-58-4), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of t-Butyloxycarbonylaspartic acid alpha-benzyl ester
Property Insights of t-Butyloxycarbonylaspartic acid alpha-benzyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyloxycarbonylaspartic acid alpha-benzyl ester. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butyloxycarbonylaspartic acid alpha-benzyl ester. Following Lipinski's Rule of Five, t-Butyloxycarbonylaspartic acid alpha-benzyl ester 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
Frequently Asked Questions
What is the CAS number of t-Butyloxycarbonylaspartic acid alpha-benzyl ester?
The CAS number of t-Butyloxycarbonylaspartic acid alpha-benzyl ester is 51186-58-4.
What is the molecular formula of t-Butyloxycarbonylaspartic acid alpha-benzyl ester?
The molecular formula of t-Butyloxycarbonylaspartic acid alpha-benzyl ester is C16H21NO6.
What is the molecular weight of t-Butyloxycarbonylaspartic acid alpha-benzyl ester?
The molecular weight of t-Butyloxycarbonylaspartic acid alpha-benzyl ester is 323.14 g/mol.
Where can I buy t-Butyloxycarbonylaspartic acid alpha-benzyl ester?
You can request a quote for t-Butyloxycarbonylaspartic acid alpha-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyloxycarbonylaspartic acid alpha-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for t-Butyloxycarbonylaspartic acid alpha-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.