(2-氰乙基)丙二酸二乙酯
TL;DR: (2-氰乙基)丙二酸二乙酯 (CAS 17216-62-5) is a chemical compound with molecular formula C10H15NO4 and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-氰乙基)丙二酸二乙酯
diethyl 2-(2-cyanoethyl)propanedioate
Also Known As: Diethyl 2-(2-cyanoethyl)malonate, Diethyl (2-cyanoethyl)malonate, Diethyl 2-cyanomalonate, diethyl 2-(2-cyanoethyl)propanedioate, diethyl(2-cyanoethyl)malonate
| Molecular Formula | C10H15NO4 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 213.10011 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 17216-62-5 |
|---|---|
| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
| InChIKey | YJJLOESDBPRZIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-氰乙基)丙二酸二乙酯 (CAS 17216-62-5), with molecular formula C10H15NO4 and molecular weight 213.10 g/mol. IUPAC: diethyl 2-(2-cyanoethyl)propanedioate.
Chemical Property Profile of (2-氰乙基)丙二酸二乙酯
Property Insights of (2-氰乙基)丙二酸二乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-氰乙基)丙二酸二乙酯. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-氰乙基)丙二酸二乙酯. Following Lipinski's Rule of Five, (2-氰乙基)丙二酸二乙酯 has 0 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 (2-氰乙基)丙二酸二乙酯?
The CAS number of (2-氰乙基)丙二酸二乙酯 is 17216-62-5.
What is the molecular formula of (2-氰乙基)丙二酸二乙酯?
The molecular formula of (2-氰乙基)丙二酸二乙酯 is C10H15NO4.
What is the molecular weight of (2-氰乙基)丙二酸二乙酯?
The molecular weight of (2-氰乙基)丙二酸二乙酯 is 213.10 g/mol.
Where can I buy (2-氰乙基)丙二酸二乙酯?
You can request a quote for (2-氰乙基)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 (2-氰乙基)丙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for (2-氰乙基)丙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.