(E)-N'-benzylbut-2-enediamide
TL;DR: (E)-N'-benzylbut-2-enediamide (CAS 321967-58-2) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N'-benzylbut-2-enediamide
Also Known As: N1-benzylfumaramide, N-benzylfumaramide, (E)-N'-benzylbut-2-enediamide, N~1~-benzyl-2-butenediamide, But-2-enedioic acid amide benzylamide
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 321967-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C=C/C(=O)N |
| InChIKey | QFRXZYXRIRFJCU-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-N'-benzylbut-2-enediamide (CAS 321967-58-2), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: (E)-N'-benzylbut-2-enediamide.
Chemical Property Profile of (E)-N'-benzylbut-2-enediamide
Property Insights of (E)-N'-benzylbut-2-enediamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N'-benzylbut-2-enediamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-benzylbut-2-enediamide. Following Lipinski's Rule of Five, (E)-N'-benzylbut-2-enediamide has 2 hydrogen bond donor(s) and 2 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 (E)-N'-benzylbut-2-enediamide?
The CAS number of (E)-N'-benzylbut-2-enediamide is 321967-58-2.
What is the molecular formula of (E)-N'-benzylbut-2-enediamide?
The molecular formula of (E)-N'-benzylbut-2-enediamide is C11H12N2O2.
What is the molecular weight of (E)-N'-benzylbut-2-enediamide?
The molecular weight of (E)-N'-benzylbut-2-enediamide is 204.09 g/mol.
Where can I buy (E)-N'-benzylbut-2-enediamide?
You can request a quote for (E)-N'-benzylbut-2-enediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-benzylbut-2-enediamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-benzylbut-2-enediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.