Diethyl 2-(anilinomethylidene)butanedioate
TL;DR: Diethyl 2-(anilinomethylidene)butanedioate (CAS 61383-45-7) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(anilinomethylidene)butanedioate
Also Known As: Diethyl anilinomethylenesuccinate, diethyl 2-(anilinomethylidene)butanedioate, Butanedioic acid, [(phenylamino)methylene]-, diethyl ester, (E)-, Butanedioic acid, [(phenylamino)methylene]-, diethyl ester, (Z)-
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 61383-45-7 |
|---|---|
| SMILES | CCOC(=O)CC(=CNC1=CC=CC=C1)C(=O)OCC |
| InChIKey | PEFNOFWXZZOTTK-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(anilinomethylidene)butanedioate (CAS 61383-45-7), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: diethyl 2-(anilinomethylidene)butanedioate.
Chemical Property Profile of Diethyl 2-(anilinomethylidene)butanedioate
Property Insights of Diethyl 2-(anilinomethylidene)butanedioate
The XLogP value of 3.0 indicates that Diethyl 2-(anilinomethylidene)butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(anilinomethylidene)butanedioate. Following Lipinski's Rule of Five, Diethyl 2-(anilinomethylidene)butanedioate 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 2-(anilinomethylidene)butanedioate?
The CAS number of Diethyl 2-(anilinomethylidene)butanedioate is 61383-45-7.
What is the molecular formula of Diethyl 2-(anilinomethylidene)butanedioate?
The molecular formula of Diethyl 2-(anilinomethylidene)butanedioate is C15H19NO4.
What is the molecular weight of Diethyl 2-(anilinomethylidene)butanedioate?
The molecular weight of Diethyl 2-(anilinomethylidene)butanedioate is 277.13 g/mol.
Where can I buy Diethyl 2-(anilinomethylidene)butanedioate?
You can request a quote for Diethyl 2-(anilinomethylidene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(anilinomethylidene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(anilinomethylidene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.