Fumaric acid, anilino-, diethyl ester
TL;DR: Fumaric acid, anilino-, diethyl ester (CAS 49680-03-7) 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 (Z)-2-anilinobut-2-enedioate
Also Known As: diethyl anilinofumarate, 2-Anilinofumaricaciddiethylester, diethyl 2-(phenylamino)fumarate, Fumaric acid, anilino-, diethyl ester, 2-Anilinofumaric acid diethyl ester
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.1086 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 453.7736 |
Chemical Identifiers
| CAS Number | 49680-03-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C(=O)OCC)\NC1=CC=CC=C1 |
Product Overview
Fumaric acid, anilino-, diethyl ester (CAS 49680-03-7), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: diethyl (Z)-2-anilinobut-2-enedioate.
Chemical Property Profile of Fumaric acid, anilino-, diethyl ester
Property Insights of Fumaric acid, anilino-, diethyl ester
The XLogP value of 2.1086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumaric acid, anilino-, diethyl ester. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaric acid, anilino-, diethyl ester. Following Lipinski's Rule of Five, Fumaric acid, anilino-, diethyl ester 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 Fumaric acid, anilino-, diethyl ester?
The CAS number of Fumaric acid, anilino-, diethyl ester is 49680-03-7.
What is the molecular formula of Fumaric acid, anilino-, diethyl ester?
The molecular formula of Fumaric acid, anilino-, diethyl ester is C14H17NO4.
What is the molecular weight of Fumaric acid, anilino-, diethyl ester?
The molecular weight of Fumaric acid, anilino-, diethyl ester is 263.12 g/mol.
Where can I buy Fumaric acid, anilino-, diethyl ester?
You can request a quote for Fumaric acid, anilino-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaric acid, anilino-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Fumaric acid, anilino-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.