天冬氨酸二乙酯
TL;DR: 天冬氨酸二乙酯 (CAS 5426-20-0) 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.
天冬氨酸二乙酯
diethyl (2S)-2-aminobutanedioate
Also Known As: Diethyl aspartate, Diethyl L-aspartate, Diethylaspartate, Diethyl DL-aspartate, l-Aspartic diethyl ester
| 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 | 5426-20-0 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C(=O)OCC)N |
| InChIKey | HMNXRLQSCJJMBT-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
天冬氨酸二乙酯 (CAS 5426-20-0), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: diethyl (2S)-2-aminobutanedioate.
Chemical Property Profile of 天冬氨酸二乙酯
Property Insights of 天冬氨酸二乙酯
The XLogP value of -0.2 indicates that 天冬氨酸二乙酯 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 天冬氨酸二乙酯. Following Lipinski's Rule of Five, 天冬氨酸二乙酯 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 天冬氨酸二乙酯?
The CAS number of 天冬氨酸二乙酯 is 5426-20-0.
What is the molecular formula of 天冬氨酸二乙酯?
The molecular formula of 天冬氨酸二乙酯 is C8H15NO4.
What is the molecular weight of 天冬氨酸二乙酯?
The molecular weight of 天冬氨酸二乙酯 is 189.10 g/mol.
Where can I buy 天冬氨酸二乙酯?
You can request a quote for 天冬氨酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 天冬氨酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 天冬氨酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.