Aspartic acid, 1,4-diethyl ester
TL;DR: Aspartic acid, 1,4-diethyl ester (CAS 36016-13-4) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-aminobutanedioate
Also Known As: Diethyl aspartate, diethyl 2-aminobutanedioate, Diethyl DL-aspartate, Aspartic acid, diethyl ester, Diethyl 2-aminosuccinate
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 36016-13-4 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)N |
| InChIKey | HMNXRLQSCJJMBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aspartic acid, 1,4-diethyl ester (CAS 36016-13-4), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: diethyl 2-aminobutanedioate.
Chemical Property Profile of Aspartic acid, 1,4-diethyl ester
Property Insights of Aspartic acid, 1,4-diethyl ester
The XLogP value of -0.2 indicates that Aspartic acid, 1,4-diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid, 1,4-diethyl ester. Following Lipinski's Rule of Five, Aspartic acid, 1,4-diethyl ester 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 Aspartic acid, 1,4-diethyl ester?
The CAS number of Aspartic acid, 1,4-diethyl ester is 36016-13-4.
What is the molecular formula of Aspartic acid, 1,4-diethyl ester?
The molecular formula of Aspartic acid, 1,4-diethyl ester is C8H15NO4.
What is the molecular weight of Aspartic acid, 1,4-diethyl ester?
The molecular weight of Aspartic acid, 1,4-diethyl ester is 189.10 g/mol.
Where can I buy Aspartic acid, 1,4-diethyl ester?
You can request a quote for Aspartic acid, 1,4-diethyl 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, 1,4-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid, 1,4-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.