Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester
TL;DR: Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester (CAS 10444-12-9) is a chemical compound with molecular formula C12H19NO4 and molecular weight 241.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate
Also Known As: diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate, Diethyl (2-cyanoethyl)(ethyl)propanedioate, Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester, Diethyl 2-(2-cyanoethyl)-2-ethyl-propanedioate, 5-(3-Hydroxy-propane-1-sulfonyl)-thiophene-2-sulfonic acid amide
| Molecular Formula | C12H19NO4 |
|---|---|
| Molecular Weight | 241.13 g/mol |
| LogP | 1.81278 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.13141 |
| Heavy Atoms | 17 |
| Complexity | 288.1177 |
Chemical Identifiers
| CAS Number | 10444-12-9 |
|---|---|
| SMILES | CCC(CCC#N)(C(=O)OCC)C(=O)OCC |
Product Overview
Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester (CAS 10444-12-9), with molecular formula C12H19NO4 and molecular weight 241.13 g/mol. IUPAC: diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate.
Chemical Property Profile of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester
Property Insights of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester
The XLogP value of 1.81278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester 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 Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester?
The CAS number of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester is 10444-12-9.
What is the molecular formula of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester?
The molecular formula of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester is C12H19NO4.
What is the molecular weight of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester?
The molecular weight of Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester is 241.13 g/mol.
Where can I buy Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester?
You can request a quote for Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.