Butenedioic acid, 2-ethyl-3-methyl-
TL;DR: Butenedioic acid, 2-ethyl-3-methyl- (CAS 41654-09-5) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-3-methylbut-2-enedioic acid
Also Known As: 2-ETHYL-3-METHYLMALEIC ACID, 2-ethyl-3-methylbut-2-enedioic acid, butenedioic acid, 2-ethyl-3-methyl-, (E)-2-ethyl-3-methyl-but-2-enedioic acid, 2-Ethyl-3-methyl maleic acid 2-Ethyl-2-methyl-cis-butenedioic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.0579 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.0579 Da |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
| SMILES | CCC(=C(C)C(=O)O)C(=O)O |
| InChIKey | HVZKWAQLXHTHSG-UHFFFAOYSA-N |
Chemical Property Profile of Butenedioic acid, 2-ethyl-3-methyl-
Property Insights of Butenedioic acid, 2-ethyl-3-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butenedioic acid, 2-ethyl-3-methyl-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butenedioic acid, 2-ethyl-3-methyl-. Following Lipinski's Rule of Five, Butenedioic acid, 2-ethyl-3-methyl- 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 Butenedioic acid, 2-ethyl-3-methyl-?
The CAS number of Butenedioic acid, 2-ethyl-3-methyl- is 41654-09-5.
What is the molecular formula of Butenedioic acid, 2-ethyl-3-methyl-?
The molecular formula of Butenedioic acid, 2-ethyl-3-methyl- is C7H10O4.
What is the molecular weight of Butenedioic acid, 2-ethyl-3-methyl-?
The molecular weight of Butenedioic acid, 2-ethyl-3-methyl- is 158.0579 g/mol.
Where can I buy Butenedioic acid, 2-ethyl-3-methyl-?
You can request a quote for Butenedioic acid, 2-ethyl-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butenedioic acid, 2-ethyl-3-methyl-?
Yes, CoreyChem provides custom synthesis services for Butenedioic acid, 2-ethyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.