Diethyl (aminomethylidene)propanedioate
TL;DR: Diethyl (aminomethylidene)propanedioate (CAS 6957-68-2) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(aminomethylidene)propanedioate
Also Known As: DIETHYL AMINOMETHYLENEMALONATE, diethyl 2-(aminomethylene)malonate, Diethylaminomethylenemalonate, diethyl(aminomethylene)malonate, diethyl 2-(aminomethylidene)propanedioate
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 6957-68-2 |
|---|---|
| SMILES | CCOC(=O)C(=CN)C(=O)OCC |
| InChIKey | WDTWMEZMHUEZKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (aminomethylidene)propanedioate (CAS 6957-68-2), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: diethyl 2-(aminomethylidene)propanedioate.
Chemical Property Profile of Diethyl (aminomethylidene)propanedioate
Property Insights of Diethyl (aminomethylidene)propanedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (aminomethylidene)propanedioate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (aminomethylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl (aminomethylidene)propanedioate has 1 hydrogen bond donor(s) and 5 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 (aminomethylidene)propanedioate?
The CAS number of Diethyl (aminomethylidene)propanedioate is 6957-68-2.
What is the molecular formula of Diethyl (aminomethylidene)propanedioate?
The molecular formula of Diethyl (aminomethylidene)propanedioate is C8H13NO4.
What is the molecular weight of Diethyl (aminomethylidene)propanedioate?
The molecular weight of Diethyl (aminomethylidene)propanedioate is 187.08 g/mol.
Where can I buy Diethyl (aminomethylidene)propanedioate?
You can request a quote for Diethyl (aminomethylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (aminomethylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (aminomethylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.