Dihexyl 2-hydroxybutanedioate
TL;DR: Dihexyl 2-hydroxybutanedioate (CAS 16502-94-6) is a chemical compound with molecular formula C16H30O5 and molecular weight 302.20932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dihexyl 2-hydroxybutanedioate
Also Known As: dihexyl malate, dihexyl-dl-malate, Dihexyl 2-hydroxybutanedioate, Malic acid, dihexyl ester, 2-Hydroxybutanedioic acid dihexyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H30O5 |
| Molecular Weight | 302.20932 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 302.20932 Da |
| Heavy Atoms | 21 |
| Complexity | 278.0 |
| SMILES | CCCCCCOC(=O)CC(C(=O)OCCCCCC)O |
| InChIKey | BZSQLGKFRMHENH-UHFFFAOYSA-N |
Chemical Property Profile of Dihexyl 2-hydroxybutanedioate
Property Insights of Dihexyl 2-hydroxybutanedioate
The XLogP value of 4.0 indicates that Dihexyl 2-hydroxybutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihexyl 2-hydroxybutanedioate. Following Lipinski's Rule of Five, Dihexyl 2-hydroxybutanedioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dihexyl 2-hydroxybutanedioate?
The CAS number of Dihexyl 2-hydroxybutanedioate is 16502-94-6.
What is the molecular formula of Dihexyl 2-hydroxybutanedioate?
The molecular formula of Dihexyl 2-hydroxybutanedioate is C16H30O5.
What is the molecular weight of Dihexyl 2-hydroxybutanedioate?
The molecular weight of Dihexyl 2-hydroxybutanedioate is 302.20932 g/mol.
Where can I buy Dihexyl 2-hydroxybutanedioate?
You can request a quote for Dihexyl 2-hydroxybutanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihexyl 2-hydroxybutanedioate?
Yes, CoreyChem provides custom synthesis services for Dihexyl 2-hydroxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.