Methylitaconic acid
TL;DR: Methylitaconic acid (CAS 144368-21-8) is a chemical compound with molecular formula CC=C(CC(=O)O)C(=O)O and molecular weight 144.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylidenebutanedioic acid
Also Known As: Itaconic acid, methylitaconic acid, 3-Methylitaconate, 2-ethylidenebutanedioic acid, Butanedioic acid,methylmethylene-, (S)- (9CI)
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC=C(CC(=O)O)C(=O)O |
| Molecular Weight | 144.04225 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.04225 Da |
| Heavy Atoms | 10 |
| Complexity | 180.0 |
| SMILES | CC=C(CC(=O)O)C(=O)O |
| InChIKey | NRSMWHGLCNBZSO-UHFFFAOYSA-N |
Chemical Property Profile of Methylitaconic acid
Property Insights of Methylitaconic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylitaconic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylitaconic acid. Following Lipinski's Rule of Five, Methylitaconic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylitaconic acid?
The CAS number of Methylitaconic acid is 144368-21-8.
What is the molecular formula of Methylitaconic acid?
The molecular formula of Methylitaconic acid is CC=C(CC(=O)O)C(=O)O.
What is the molecular weight of Methylitaconic acid?
The molecular weight of Methylitaconic acid is 144.04225 g/mol.
Where can I buy Methylitaconic acid?
You can request a quote for Methylitaconic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylitaconic acid?
Yes, CoreyChem provides custom synthesis services for Methylitaconic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.