Diethyl 2-(phenylamino)fumarate
TL;DR: Diethyl 2-(phenylamino)fumarate (CAS 33511-74-9) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-anilinobut-2-enedioate
Also Known As: diethyl 2-(phenylamino)fumarate, diethyl 2-anilinobut-2-enedioate, diethyl 3-phenylaminobut-2-ene-dioate, diethyl (Z)-2-anilinobut-2-enedioate, 2-Butenedioic acid, 2-(phenylamino)-, diethyl ester, (E)-
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 33511-74-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C(=O)OCC)NC1=CC=CC=C1 |
| InChIKey | ROMURMXNNUEGCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(phenylamino)fumarate (CAS 33511-74-9), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: diethyl 2-anilinobut-2-enedioate.
Chemical Property Profile of Diethyl 2-(phenylamino)fumarate
Property Insights of Diethyl 2-(phenylamino)fumarate
The XLogP value of 3.2 indicates that Diethyl 2-(phenylamino)fumarate 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-(phenylamino)fumarate. Following Lipinski's Rule of Five, Diethyl 2-(phenylamino)fumarate 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-(phenylamino)fumarate?
The CAS number of Diethyl 2-(phenylamino)fumarate is 33511-74-9.
What is the molecular formula of Diethyl 2-(phenylamino)fumarate?
The molecular formula of Diethyl 2-(phenylamino)fumarate is C14H17NO4.
What is the molecular weight of Diethyl 2-(phenylamino)fumarate?
The molecular weight of Diethyl 2-(phenylamino)fumarate is 263.12 g/mol.
Where can I buy Diethyl 2-(phenylamino)fumarate?
You can request a quote for Diethyl 2-(phenylamino)fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(phenylamino)fumarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(phenylamino)fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.