2-Butylidenebutanedioic acid
TL;DR: 2-Butylidenebutanedioic acid (CAS 132631-27-7) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butylidenebutanedioic acid
Also Known As: 2-butylidenebutanedioic acid, n-propylitaconic acid, n-butylidenesuccinic acid, Butanedioic acid, butylidene-, (2E)-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07356 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | CCCC=C(CC(=O)O)C(=O)O |
| InChIKey | ZZXACWDXWFBRCH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butylidenebutanedioic acid
Property Insights of 2-Butylidenebutanedioic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butylidenebutanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butylidenebutanedioic acid. Following Lipinski's Rule of Five, 2-Butylidenebutanedioic 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 2-Butylidenebutanedioic acid?
The CAS number of 2-Butylidenebutanedioic acid is 132631-27-7.
What is the molecular formula of 2-Butylidenebutanedioic acid?
The molecular formula of 2-Butylidenebutanedioic acid is C8H12O4.
What is the molecular weight of 2-Butylidenebutanedioic acid?
The molecular weight of 2-Butylidenebutanedioic acid is 172.07356 g/mol.
Where can I buy 2-Butylidenebutanedioic acid?
You can request a quote for 2-Butylidenebutanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butylidenebutanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Butylidenebutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.