diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate
TL;DR: diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate (CAS 3484-16-0) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate
Also Known As: diethyl 2-cyano-3,4-dimethylpent-2-enedioate, diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.58878 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 365.19214 |
Chemical Identifiers
| CAS Number | 3484-16-0 |
|---|---|
| SMILES | CCOC(=O)C(C)/C(=C(\C#N)/C(=O)OCC)/C |
Product Overview
diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate (CAS 3484-16-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate.
Chemical Property Profile of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate
Property Insights of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate
The XLogP value of 1.58878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate. Following Lipinski's Rule of Five, diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate 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 (E)-2-cyano-3,4-dimethylpent-2-enedioate?
The CAS number of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate is 3484-16-0.
What is the molecular formula of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate?
The molecular formula of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate is C12H17NO4.
What is the molecular weight of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate?
The molecular weight of diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate is 239.12 g/mol.
Where can I buy diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate?
You can request a quote for diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (E)-2-cyano-3,4-dimethylpent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.