Diethyl 2,3-dicyanobut-2-enedioate
TL;DR: Diethyl 2,3-dicyanobut-2-enedioate (CAS 62381-06-0) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,3-dicyanobut-2-enedioate
Also Known As: Diethyl 2,3-dicyanofumarate, diethyl 2,3-dicyanobut-2-enedioate, EINECS 252-453-0, 2-Butenedioic acid, 2,3-dicyano-, diethyl ester, 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)-
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.45636 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 360.02255 |
Chemical Identifiers
| CAS Number | 62381-06-0 |
|---|---|
| SMILES | CCOC(=O)C(=C(C#N)C(=O)OCC)C#N |
Product Overview
Diethyl 2,3-dicyanobut-2-enedioate (CAS 62381-06-0), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: diethyl 2,3-dicyanobut-2-enedioate.
Chemical Property Profile of Diethyl 2,3-dicyanobut-2-enedioate
Property Insights of Diethyl 2,3-dicyanobut-2-enedioate
The XLogP value of 0.45636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,3-dicyanobut-2-enedioate. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,3-dicyanobut-2-enedioate. Following Lipinski's Rule of Five, Diethyl 2,3-dicyanobut-2-enedioate has 0 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 2,3-dicyanobut-2-enedioate?
The CAS number of Diethyl 2,3-dicyanobut-2-enedioate is 62381-06-0.
What is the molecular formula of Diethyl 2,3-dicyanobut-2-enedioate?
The molecular formula of Diethyl 2,3-dicyanobut-2-enedioate is C10H10N2O4.
What is the molecular weight of Diethyl 2,3-dicyanobut-2-enedioate?
The molecular weight of Diethyl 2,3-dicyanobut-2-enedioate is 222.06 g/mol.
Where can I buy Diethyl 2,3-dicyanobut-2-enedioate?
You can request a quote for Diethyl 2,3-dicyanobut-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 2,3-dicyanobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,3-dicyanobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.