Itaconamide
TL;DR: Itaconamide (CAS 451-07-0) 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.
2-methylidenebutanediamide
Also Known As: Itaconamide, Itaconic diamide, itaconic amide, 2-methylidenebutanediamide, Butanediamide, 2-methylene-
| 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 | 3 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 451-07-0 |
|---|---|
| SMILES | C=C(CC(=O)N)C(=O)N |
| InChIKey | JGBOVFKUKBGAJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Itaconamide (CAS 451-07-0), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: 2-methylidenebutanediamide.
Chemical Property Profile of Itaconamide
Property Insights of Itaconamide
The XLogP value of -1.4 indicates that Itaconamide 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 Itaconamide. Following Lipinski's Rule of Five, Itaconamide 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 Itaconamide?
The CAS number of Itaconamide is 451-07-0.
What is the molecular formula of Itaconamide?
The molecular formula of Itaconamide is C5H8N2O2.
What is the molecular weight of Itaconamide?
The molecular weight of Itaconamide is 128.06 g/mol.
Where can I buy Itaconamide?
You can request a quote for Itaconamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itaconamide?
Yes, KEHONG BIO provides custom synthesis services for Itaconamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.