Diethyl 3-cyano-2-methylpentanedioate
TL;DR: Diethyl 3-cyano-2-methylpentanedioate (CAS 90109-65-2) 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 3-cyano-2-methylpentanedioate
Also Known As: diethyl 3-cyano-2-methylpentanedioate, DIETHYL 3-CYANO-2-METHYL-PENTANEDIOATE, Pentanedioic acid,3-cyano-2-methyl-, 1,5-diethyl ester
| Molecular Formula | C11H17NO4 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.11575 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 90109-65-2 |
|---|---|
| SMILES | CCOC(=O)CC(C#N)C(C)C(=O)OCC |
| InChIKey | QJHNHSWVRDDGPR-UHFFFAOYSA-N |
Product Overview
Diethyl 3-cyano-2-methylpentanedioate (CAS 90109-65-2), with molecular formula C11H17NO4 and molecular weight 227.12 g/mol. IUPAC: diethyl 3-cyano-2-methylpentanedioate.
Chemical Property Profile of Diethyl 3-cyano-2-methylpentanedioate
Property Insights of Diethyl 3-cyano-2-methylpentanedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-cyano-2-methylpentanedioate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-cyano-2-methylpentanedioate. Following Lipinski's Rule of Five, Diethyl 3-cyano-2-methylpentanedioate 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 3-cyano-2-methylpentanedioate?
The CAS number of Diethyl 3-cyano-2-methylpentanedioate is 90109-65-2.
What is the molecular formula of Diethyl 3-cyano-2-methylpentanedioate?
The molecular formula of Diethyl 3-cyano-2-methylpentanedioate is C11H17NO4.
What is the molecular weight of Diethyl 3-cyano-2-methylpentanedioate?
The molecular weight of Diethyl 3-cyano-2-methylpentanedioate is 227.12 g/mol.
Where can I buy Diethyl 3-cyano-2-methylpentanedioate?
You can request a quote for Diethyl 3-cyano-2-methylpentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-cyano-2-methylpentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-cyano-2-methylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.