Diethyl 2-(3-cyanopropyl)malonate
TL;DR: Diethyl 2-(3-cyanopropyl)malonate (CAS 74844-93-2) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-cyanopropyl)propanedioate
Also Known As: diethyl 2-(3-cyanopropyl)malonate, BUTYRONITRILE DIETHYL MALONATE, Diethyl (3-cyanopropyl)propanedioate, Diethyl 2-(3-cyanopropyl)propanedioate, Diethyl-3-cyanopropylmalonate
| Molecular Formula | C11H17NO4 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 1.42268 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.11575 |
| Heavy Atoms | 16 |
| Complexity | 251.64835 |
Chemical Identifiers
| CAS Number | 74844-93-2 |
|---|---|
| SMILES | CCOC(=O)C(CCCC#N)C(=O)OCC |
Product Overview
Diethyl 2-(3-cyanopropyl)malonate (CAS 74844-93-2), with molecular formula C11H17NO4 and molecular weight 227.12 g/mol. IUPAC: diethyl 2-(3-cyanopropyl)propanedioate.
Chemical Property Profile of Diethyl 2-(3-cyanopropyl)malonate
Property Insights of Diethyl 2-(3-cyanopropyl)malonate
The XLogP value of 1.42268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3-cyanopropyl)malonate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3-cyanopropyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(3-cyanopropyl)malonate 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 Diethyl 2-(3-cyanopropyl)malonate?
The CAS number of Diethyl 2-(3-cyanopropyl)malonate is 74844-93-2.
What is the molecular formula of Diethyl 2-(3-cyanopropyl)malonate?
The molecular formula of Diethyl 2-(3-cyanopropyl)malonate is C11H17NO4.
What is the molecular weight of Diethyl 2-(3-cyanopropyl)malonate?
The molecular weight of Diethyl 2-(3-cyanopropyl)malonate is 227.12 g/mol.
Where can I buy Diethyl 2-(3-cyanopropyl)malonate?
You can request a quote for Diethyl 2-(3-cyanopropyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3-cyanopropyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3-cyanopropyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.