N1-(p-tolyl)fumaramide
TL;DR: N1-(p-tolyl)fumaramide (CAS 307526-48-3) 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'-(4-methylphenyl)but-2-enediamide
Also Known As: N1-(p-tolyl)fumaramide, But-2-enedioic acid amide p-tolylamide, (E)-N'-(4-methylphenyl)but-2-enediamide, US9011882, Table 1, Compound 4, (2E)-N-(4-methylphenyl)but-2-enediamide
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 307526-48-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C=C/C(=O)N |
| InChIKey | UVQKHZYECKKBBZ-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(p-tolyl)fumaramide (CAS 307526-48-3), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: (E)-N'-(4-methylphenyl)but-2-enediamide.
Chemical Property Profile of N1-(p-tolyl)fumaramide
Property Insights of N1-(p-tolyl)fumaramide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(p-tolyl)fumaramide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(p-tolyl)fumaramide. Following Lipinski's Rule of Five, N1-(p-tolyl)fumaramide 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 N1-(p-tolyl)fumaramide?
The CAS number of N1-(p-tolyl)fumaramide is 307526-48-3.
What is the molecular formula of N1-(p-tolyl)fumaramide?
The molecular formula of N1-(p-tolyl)fumaramide is C11H12N2O2.
What is the molecular weight of N1-(p-tolyl)fumaramide?
The molecular weight of N1-(p-tolyl)fumaramide is 204.09 g/mol.
Where can I buy N1-(p-tolyl)fumaramide?
You can request a quote for N1-(p-tolyl)fumaramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(p-tolyl)fumaramide?
Yes, KEHONG BIO provides custom synthesis services for N1-(p-tolyl)fumaramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.