diethyl (E)-3-amino-2-cyanopent-2-enedioate
TL;DR: diethyl (E)-3-amino-2-cyanopent-2-enedioate (CAS 89779-30-6) 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 (E)-3-amino-2-cyanopent-2-enedioate
Also Known As: diethyl (E)-3-amino-2-cyanopent-2-enedioate, diethyl (2e)-3-amino-2-cyanopent-2-enedioate, J1.913.999I, 2-Pentenedioic acid, 3-amino-2-cyano-, diethyl ester, (2E)-, (E)-2-Cyano-3-amino-2-pentenedioic acid diethyl ester
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.23908 |
| Topological Polar Surface Area | 102.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 341.2184 |
Chemical Identifiers
| CAS Number | 89779-30-6 |
|---|---|
| SMILES | CCOC(=O)C/C(=C(/C#N)\C(=O)OCC)/N |
Product Overview
diethyl (E)-3-amino-2-cyanopent-2-enedioate (CAS 89779-30-6), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: diethyl (E)-3-amino-2-cyanopent-2-enedioate.
Chemical Property Profile of diethyl (E)-3-amino-2-cyanopent-2-enedioate
Property Insights of diethyl (E)-3-amino-2-cyanopent-2-enedioate
The XLogP value of 0.23908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (E)-3-amino-2-cyanopent-2-enedioate. The TPSA of 102.41 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (E)-3-amino-2-cyanopent-2-enedioate. Following Lipinski's Rule of Five, diethyl (E)-3-amino-2-cyanopent-2-enedioate 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 (E)-3-amino-2-cyanopent-2-enedioate?
The CAS number of diethyl (E)-3-amino-2-cyanopent-2-enedioate is 89779-30-6.
What is the molecular formula of diethyl (E)-3-amino-2-cyanopent-2-enedioate?
The molecular formula of diethyl (E)-3-amino-2-cyanopent-2-enedioate is C10H14N2O4.
What is the molecular weight of diethyl (E)-3-amino-2-cyanopent-2-enedioate?
The molecular weight of diethyl (E)-3-amino-2-cyanopent-2-enedioate is 226.10 g/mol.
Where can I buy diethyl (E)-3-amino-2-cyanopent-2-enedioate?
You can request a quote for diethyl (E)-3-amino-2-cyanopent-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)-3-amino-2-cyanopent-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (E)-3-amino-2-cyanopent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.