乙酰氨基丙二酸二乙酯
TL;DR: 乙酰氨基丙二酸二乙酯 (CAS 1068-90-2) is a chemical compound with molecular formula C9H15NO5 and molecular weight 217.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰氨基丙二酸二乙酯
diethyl 2-acetamidopropanedioate
Also Known As: Diethyl acetamidomalonate, Diethyl 2-acetamidomalonate, Ethyl acetamidomalonate, Diethyl acetaminomalonate, Diethyl acetylaminomalonate
| Molecular Formula | C9H15NO5 |
|---|---|
| Molecular Weight | 217.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.09502 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| Melting Point | 95-96 °C |
| Boiling Point | 185 °C @ 20 MM HG |
| Solubility | SLIGHTLY SOL IN HOT WATER & ETHER; SOL IN HOT ALCOHOL |
Chemical Identifiers
| CAS Number | 1068-90-2 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)C |
| InChIKey | ISOLMABRZPQKOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰氨基丙二酸二乙酯 (CAS 1068-90-2), with molecular formula C9H15NO5 and molecular weight 217.10 g/mol. IUPAC: diethyl 2-acetamidopropanedioate.
Chemical Property Profile of 乙酰氨基丙二酸二乙酯
Property Insights of 乙酰氨基丙二酸二乙酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰氨基丙二酸二乙酯. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酰氨基丙二酸二乙酯. Following Lipinski's Rule of Five, 乙酰氨基丙二酸二乙酯 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 乙酰氨基丙二酸二乙酯?
The CAS number of 乙酰氨基丙二酸二乙酯 is 1068-90-2.
What is the molecular formula of 乙酰氨基丙二酸二乙酯?
The molecular formula of 乙酰氨基丙二酸二乙酯 is C9H15NO5.
What is the molecular weight of 乙酰氨基丙二酸二乙酯?
The molecular weight of 乙酰氨基丙二酸二乙酯 is 217.10 g/mol.
Where can I buy 乙酰氨基丙二酸二乙酯?
You can request a quote for 乙酰氨基丙二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰氨基丙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酰氨基丙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.