Diethyl 2-cyano-3-iminopentanedioate
TL;DR: Diethyl 2-cyano-3-iminopentanedioate (CAS 65523-05-9) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyano-3-iminopentanedioate
Also Known As: diethyl 2-cyano-3-iminopentanedioate, starbld0037188, NCIOpen2_004535, diethyl2-cyano-3-imino-pentanedioate, 1,5-DIETHYL 2-CYANO-3-IMINOPENTANEDIOATE
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 65523-05-9 |
|---|---|
| SMILES | CCOC(=O)CC(=N)C(C#N)C(=O)OCC |
| InChIKey | XBOMYZCTRIMBMW-UHFFFAOYSA-N |
Product Overview
Diethyl 2-cyano-3-iminopentanedioate (CAS 65523-05-9), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: diethyl 2-cyano-3-iminopentanedioate.
Chemical Property Profile of Diethyl 2-cyano-3-iminopentanedioate
Property Insights of Diethyl 2-cyano-3-iminopentanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyano-3-iminopentanedioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-cyano-3-iminopentanedioate. Following Lipinski's Rule of Five, Diethyl 2-cyano-3-iminopentanedioate has 1 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 2-cyano-3-iminopentanedioate?
The CAS number of Diethyl 2-cyano-3-iminopentanedioate is 65523-05-9.
What is the molecular formula of Diethyl 2-cyano-3-iminopentanedioate?
The molecular formula of Diethyl 2-cyano-3-iminopentanedioate is C10H14N2O4.
What is the molecular weight of Diethyl 2-cyano-3-iminopentanedioate?
The molecular weight of Diethyl 2-cyano-3-iminopentanedioate is 226.10 g/mol.
Where can I buy Diethyl 2-cyano-3-iminopentanedioate?
You can request a quote for Diethyl 2-cyano-3-iminopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyano-3-iminopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyano-3-iminopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.