Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester
TL;DR: Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester (CAS 18755-33-4) is a chemical compound with molecular formula C15H25NO4 and molecular weight 283.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-cyanoethyl)-2-pentylpropanedioate
Also Known As: Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester, diethyl 2-(2-cyanoethyl)-2-pentylpropanedioate, Diethyl (2-cyanoethyl)(pentyl)propanedioate, Propanedioic acid, (2-cyanoethyl)pentyl-, diethyl ester, Malonic acid,2-cyanoethyl-,pentyl-,diethyl ester
| Molecular Formula | C15H25NO4 |
|---|---|
| Molecular Weight | 283.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 283.17834 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 18755-33-4 |
|---|---|
| SMILES | CCCCCC(CCC#N)(C(=O)OCC)C(=O)OCC |
| InChIKey | MDPMDEQKQHCPNA-UHFFFAOYSA-N |
Product Overview
Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester (CAS 18755-33-4), with molecular formula C15H25NO4 and molecular weight 283.18 g/mol. IUPAC: diethyl 2-(2-cyanoethyl)-2-pentylpropanedioate.
Chemical Property Profile of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester
Property Insights of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester
The XLogP value of 3.3 indicates that Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester. Following Lipinski's Rule of Five, Malonic acid, 2-cyanoethyl-, pentyl-, 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 Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester?
The CAS number of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester is 18755-33-4.
What is the molecular formula of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester?
The molecular formula of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester is C15H25NO4.
What is the molecular weight of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester?
The molecular weight of Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester is 283.18 g/mol.
Where can I buy Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester?
You can request a quote for Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, 2-cyanoethyl-, pentyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.