2-Butenediamide, 2-methyl-, (E)-
TL;DR: 2-Butenediamide, 2-methyl-, (E)- (CAS 41138-18-5) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methylbut-2-enediamide
Also Known As: Citraconamide, Mesaconic diamide, 2-methyl-fumaramide, -2-Methyl-2-butenediamide, (E)-2-methylbut-2-enediamide
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 41138-18-5 |
|---|---|
| SMILES | C/C(=C\C(=O)N)/C(=O)N |
| InChIKey | HWYGBPPFPNZPGQ-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenediamide, 2-methyl-, (E)- (CAS 41138-18-5), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: (E)-2-methylbut-2-enediamide.
Chemical Property Profile of 2-Butenediamide, 2-methyl-, (E)-
Property Insights of 2-Butenediamide, 2-methyl-, (E)-
The XLogP value of -1.4 indicates that 2-Butenediamide, 2-methyl-, (E)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenediamide, 2-methyl-, (E)-. Following Lipinski's Rule of Five, 2-Butenediamide, 2-methyl-, (E)- 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 2-Butenediamide, 2-methyl-, (E)-?
The CAS number of 2-Butenediamide, 2-methyl-, (E)- is 41138-18-5.
What is the molecular formula of 2-Butenediamide, 2-methyl-, (E)-?
The molecular formula of 2-Butenediamide, 2-methyl-, (E)- is C5H8N2O2.
What is the molecular weight of 2-Butenediamide, 2-methyl-, (E)-?
The molecular weight of 2-Butenediamide, 2-methyl-, (E)- is 128.06 g/mol.
Where can I buy 2-Butenediamide, 2-methyl-, (E)-?
You can request a quote for 2-Butenediamide, 2-methyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenediamide, 2-methyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenediamide, 2-methyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.