dimethyl 2,3-dicyanobut-2-enedioate
TL;DR: dimethyl 2,3-dicyanobut-2-enedioate (CAS 35234-87-8) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-dicyanobut-2-enedioate
Also Known As: dimethyl 2,3-dicyanobut-2-enedioate, 2-Butenedioic acid, 2,3-dicyano-, dimethyl ester, (2Z)-
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 35234-87-8 |
|---|---|
| SMILES | COC(=O)C(=C(C#N)C(=O)OC)C#N |
| InChIKey | PHDJZLZYRJGQBP-UHFFFAOYSA-N |
Product Overview
dimethyl 2,3-dicyanobut-2-enedioate (CAS 35234-87-8), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: dimethyl 2,3-dicyanobut-2-enedioate.
Chemical Property Profile of dimethyl 2,3-dicyanobut-2-enedioate
Property Insights of dimethyl 2,3-dicyanobut-2-enedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2,3-dicyanobut-2-enedioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2,3-dicyanobut-2-enedioate. Following Lipinski's Rule of Five, dimethyl 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 dimethyl 2,3-dicyanobut-2-enedioate?
The CAS number of dimethyl 2,3-dicyanobut-2-enedioate is 35234-87-8.
What is the molecular formula of dimethyl 2,3-dicyanobut-2-enedioate?
The molecular formula of dimethyl 2,3-dicyanobut-2-enedioate is C8H6N2O4.
What is the molecular weight of dimethyl 2,3-dicyanobut-2-enedioate?
The molecular weight of dimethyl 2,3-dicyanobut-2-enedioate is 194.03 g/mol.
Where can I buy dimethyl 2,3-dicyanobut-2-enedioate?
You can request a quote for dimethyl 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 dimethyl 2,3-dicyanobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2,3-dicyanobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.