Diethyl bis(2-cyanoethyl)malonate
TL;DR: Diethyl bis(2-cyanoethyl)malonate (CAS 1444-05-9) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(2-cyanoethyl)propanedioate
Also Known As: Diethyl bis(2-cyanoethyl)malonate, Diethyl 2,2-bis(2-cyanoethyl)malonate, DIETHYLBIS MALONATE, 4,4-Dicarbethoxypimelonitrile, diethyl 2,2-bis(2-cyanoethyl)propanedioate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 1444-05-9 |
|---|---|
| SMILES | CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC |
| InChIKey | KAESGTBHXNCAHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl bis(2-cyanoethyl)malonate (CAS 1444-05-9), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: diethyl 2,2-bis(2-cyanoethyl)propanedioate.
Chemical Property Profile of Diethyl bis(2-cyanoethyl)malonate
Property Insights of Diethyl bis(2-cyanoethyl)malonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bis(2-cyanoethyl)malonate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl bis(2-cyanoethyl)malonate. Following Lipinski's Rule of Five, Diethyl bis(2-cyanoethyl)malonate has 0 hydrogen bond donor(s) and 6 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 bis(2-cyanoethyl)malonate?
The CAS number of Diethyl bis(2-cyanoethyl)malonate is 1444-05-9.
What is the molecular formula of Diethyl bis(2-cyanoethyl)malonate?
The molecular formula of Diethyl bis(2-cyanoethyl)malonate is C13H18N2O4.
What is the molecular weight of Diethyl bis(2-cyanoethyl)malonate?
The molecular weight of Diethyl bis(2-cyanoethyl)malonate is 266.13 g/mol.
Where can I buy Diethyl bis(2-cyanoethyl)malonate?
You can request a quote for Diethyl bis(2-cyanoethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl bis(2-cyanoethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bis(2-cyanoethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.