Dimethyl 4,4-dicyanoheptanedioate
TL;DR: Dimethyl 4,4-dicyanoheptanedioate (CAS 151585-45-4) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4,4-dicyanoheptanedioate
Also Known As: Dimethyl 4,4-dicyanoheptanedioate, DIMETHYL 3,3-DICYANOPIMELATE, 1,7-dimethyl 4,4-dicyanoheptanedioate, 4,4-Dicyanoheptanedioic acid dimethyl ester, J2.704.084E
Technical Specifications
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.09535 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.09535 Da |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
| SMILES | COC(=O)CCC(CCC(=O)OC)(C#N)C#N |
| InChIKey | RRHBVLQVSWOIOL-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 4,4-dicyanoheptanedioate
Property Insights of Dimethyl 4,4-dicyanoheptanedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,4-dicyanoheptanedioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4,4-dicyanoheptanedioate. Following Lipinski's Rule of Five, Dimethyl 4,4-dicyanoheptanedioate 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
What is the CAS number of Dimethyl 4,4-dicyanoheptanedioate?
The CAS number of Dimethyl 4,4-dicyanoheptanedioate is 151585-45-4.
What is the molecular formula of Dimethyl 4,4-dicyanoheptanedioate?
The molecular formula of Dimethyl 4,4-dicyanoheptanedioate is C11H14N2O4.
What is the molecular weight of Dimethyl 4,4-dicyanoheptanedioate?
The molecular weight of Dimethyl 4,4-dicyanoheptanedioate is 238.09535 g/mol.
Where can I buy Dimethyl 4,4-dicyanoheptanedioate?
You can request a quote for Dimethyl 4,4-dicyanoheptanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 4,4-dicyanoheptanedioate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 4,4-dicyanoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.