Diethyl 2-cyanopentanedioate
TL;DR: Diethyl 2-cyanopentanedioate (CAS 93820-06-5) is a chemical compound with molecular formula C10H15NO4 and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyanopentanedioate
Also Known As: Diethyl 2-cyanopentanedioate, 2-Cyano-pentanedioic acid diethyl ester, 2-Cyano-pentanedioicaciddiethylester, Pentanedioic acid,2-cyano-, 1,5-diethyl ester, RefChem:337825
| Molecular Formula | C10H15NO4 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 213.10011 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 93820-06-5 |
|---|---|
| SMILES | CCOC(=O)CCC(C#N)C(=O)OCC |
| InChIKey | CFYXWCUNWACGLA-UHFFFAOYSA-N |
Product Overview
Diethyl 2-cyanopentanedioate (CAS 93820-06-5), with molecular formula C10H15NO4 and molecular weight 213.10 g/mol. IUPAC: diethyl 2-cyanopentanedioate.
Chemical Property Profile of Diethyl 2-cyanopentanedioate
Property Insights of Diethyl 2-cyanopentanedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyanopentanedioate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-cyanopentanedioate. Following Lipinski's Rule of Five, Diethyl 2-cyanopentanedioate 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-cyanopentanedioate?
The CAS number of Diethyl 2-cyanopentanedioate is 93820-06-5.
What is the molecular formula of Diethyl 2-cyanopentanedioate?
The molecular formula of Diethyl 2-cyanopentanedioate is C10H15NO4.
What is the molecular weight of Diethyl 2-cyanopentanedioate?
The molecular weight of Diethyl 2-cyanopentanedioate is 213.10 g/mol.
Where can I buy Diethyl 2-cyanopentanedioate?
You can request a quote for Diethyl 2-cyanopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyanopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyanopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.