Diethyl 2,2-bis(cyanomethyl)propanedioate
TL;DR: Diethyl 2,2-bis(cyanomethyl)propanedioate (CAS 99841-91-5) 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 2,2-bis(cyanomethyl)propanedioate
Also Known As: diethyl bis(cyanomethyl)propanedioate, diethyl 2,2-bis(cyanomethyl)propanedioate, propanedioic acid, 2,2-bis(cyanomethyl)-, 1,3-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 | 99841-91-5 |
|---|---|
| SMILES | CCOC(=O)C(CC#N)(CC#N)C(=O)OCC |
| InChIKey | VJQFPIFUTFXMOW-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2-bis(cyanomethyl)propanedioate (CAS 99841-91-5), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: diethyl 2,2-bis(cyanomethyl)propanedioate.
Chemical Property Profile of Diethyl 2,2-bis(cyanomethyl)propanedioate
Property Insights of Diethyl 2,2-bis(cyanomethyl)propanedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2-bis(cyanomethyl)propanedioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2-bis(cyanomethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2,2-bis(cyanomethyl)propanedioate 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 2,2-bis(cyanomethyl)propanedioate?
The CAS number of Diethyl 2,2-bis(cyanomethyl)propanedioate is 99841-91-5.
What is the molecular formula of Diethyl 2,2-bis(cyanomethyl)propanedioate?
The molecular formula of Diethyl 2,2-bis(cyanomethyl)propanedioate is C11H14N2O4.
What is the molecular weight of Diethyl 2,2-bis(cyanomethyl)propanedioate?
The molecular weight of Diethyl 2,2-bis(cyanomethyl)propanedioate is 238.10 g/mol.
Where can I buy Diethyl 2,2-bis(cyanomethyl)propanedioate?
You can request a quote for Diethyl 2,2-bis(cyanomethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-bis(cyanomethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-bis(cyanomethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.