Propanedioic acid, (dicyanomethylene)-, dimethyl ester
TL;DR: Propanedioic acid, (dicyanomethylene)-, dimethyl ester (CAS 82849-49-8) 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-(dicyanomethylidene)propanedioate
Also Known As: dimethyl 2-(dicyanomethylene)malonate, Dimethyl 2-(dicyanomethylidene)propanedioate, Dimethyl (dicyanomethylidene)propanedioate, trans-Dicyanethylendicarbonsauredimethylester, (Dicyanomethylene)malonic acid dimethyl ester
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | -0.32384 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 335.78296 |
Chemical Identifiers
| CAS Number | 82849-49-8 |
|---|---|
| SMILES | COC(=O)C(=C(C#N)C#N)C(=O)OC |
Product Overview
Propanedioic acid, (dicyanomethylene)-, dimethyl ester (CAS 82849-49-8), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: dimethyl 2-(dicyanomethylidene)propanedioate.
Chemical Property Profile of Propanedioic acid, (dicyanomethylene)-, dimethyl ester
Property Insights of Propanedioic acid, (dicyanomethylene)-, dimethyl ester
The XLogP value of -0.32384 indicates that Propanedioic acid, (dicyanomethylene)-, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (dicyanomethylene)-, dimethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (dicyanomethylene)-, dimethyl ester 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 Propanedioic acid, (dicyanomethylene)-, dimethyl ester?
The CAS number of Propanedioic acid, (dicyanomethylene)-, dimethyl ester is 82849-49-8.
What is the molecular formula of Propanedioic acid, (dicyanomethylene)-, dimethyl ester?
The molecular formula of Propanedioic acid, (dicyanomethylene)-, dimethyl ester is C8H6N2O4.
What is the molecular weight of Propanedioic acid, (dicyanomethylene)-, dimethyl ester?
The molecular weight of Propanedioic acid, (dicyanomethylene)-, dimethyl ester is 194.03 g/mol.
Where can I buy Propanedioic acid, (dicyanomethylene)-, dimethyl ester?
You can request a quote for Propanedioic acid, (dicyanomethylene)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (dicyanomethylene)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (dicyanomethylene)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.