Diethyl 3,3-dicyanopentanedioate
TL;DR: Diethyl 3,3-dicyanopentanedioate (CAS 77415-69-1) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,3-dicyanopentanedioate
Also Known As: diethyl 3,3-dicyanopentanedioate, Diethyl3,3-dicyanopentanedioate, diethyl 3,3-dicyanoglutarate, Pentanedioic acid, 3,3-dicyano-, 1,5-diethyl ester, 3,3-DICYANO-PENTANEDIOIC ACID DIETHYL ESTER
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 77415-69-1 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C#N)C#N |
| InChIKey | ATCRXJYHZSNQFI-UHFFFAOYSA-N |
Product Overview
Diethyl 3,3-dicyanopentanedioate (CAS 77415-69-1), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: diethyl 3,3-dicyanopentanedioate.
Chemical Property Profile of Diethyl 3,3-dicyanopentanedioate
Property Insights of Diethyl 3,3-dicyanopentanedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3,3-dicyanopentanedioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,3-dicyanopentanedioate. Following Lipinski's Rule of Five, Diethyl 3,3-dicyanopentanedioate 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 3,3-dicyanopentanedioate?
The CAS number of Diethyl 3,3-dicyanopentanedioate is 77415-69-1.
What is the molecular formula of Diethyl 3,3-dicyanopentanedioate?
The molecular formula of Diethyl 3,3-dicyanopentanedioate is C11H14N2O4.
What is the molecular weight of Diethyl 3,3-dicyanopentanedioate?
The molecular weight of Diethyl 3,3-dicyanopentanedioate is 238.10 g/mol.
Where can I buy Diethyl 3,3-dicyanopentanedioate?
You can request a quote for Diethyl 3,3-dicyanopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3-dicyanopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3-dicyanopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.