Butanedioic acid, 1-butyl ester
TL;DR: Butanedioic acid, 1-butyl ester (CAS 5150-93-6) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butoxy-4-oxobutanoic acid
Also Known As: 4-butoxy-4-oxobutanoic acid, Butyl succinate, Monobutyl succinate, Succinic acid monobutyl ester, Succinic acid, butyl ester
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.0892 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 Da |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
| SMILES | CCCCOC(=O)CCC(=O)O |
| InChIKey | OGYSYXDNLPNNPW-UHFFFAOYSA-N |
Chemical Property Profile of Butanedioic acid, 1-butyl ester
Property Insights of Butanedioic acid, 1-butyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1-butyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 1-butyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 1-butyl ester has 1 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 Butanedioic acid, 1-butyl ester?
The CAS number of Butanedioic acid, 1-butyl ester is 5150-93-6.
What is the molecular formula of Butanedioic acid, 1-butyl ester?
The molecular formula of Butanedioic acid, 1-butyl ester is C8H14O4.
What is the molecular weight of Butanedioic acid, 1-butyl ester?
The molecular weight of Butanedioic acid, 1-butyl ester is 174.0892 g/mol.
Where can I buy Butanedioic acid, 1-butyl ester?
You can request a quote for Butanedioic acid, 1-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanedioic acid, 1-butyl ester?
Yes, CoreyChem provides custom synthesis services for Butanedioic acid, 1-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.