Diethyl 2-(1-hydroxybutyl)propanedioate
TL;DR: Diethyl 2-(1-hydroxybutyl)propanedioate (CAS 13937-10-5) is a chemical compound with molecular formula C11H20O5 and molecular weight 232.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(1-hydroxybutyl)propanedioate
Also Known As: diethyl 2-(1-hydroxybutyl)propanedioate, Diethyl (1-hydroxybutyl)propanedioate, NSC 280659
Technical Specifications
| Molecular Formula | C11H20O5 |
| Molecular Weight | 232.13107 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.13107 Da |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
| SMILES | CCCC(C(C(=O)OCC)C(=O)OCC)O |
| InChIKey | CMCBDOSVNNIBSX-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-(1-hydroxybutyl)propanedioate
Property Insights of Diethyl 2-(1-hydroxybutyl)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1-hydroxybutyl)propanedioate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1-hydroxybutyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(1-hydroxybutyl)propanedioate 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 Diethyl 2-(1-hydroxybutyl)propanedioate?
The CAS number of Diethyl 2-(1-hydroxybutyl)propanedioate is 13937-10-5.
What is the molecular formula of Diethyl 2-(1-hydroxybutyl)propanedioate?
The molecular formula of Diethyl 2-(1-hydroxybutyl)propanedioate is C11H20O5.
What is the molecular weight of Diethyl 2-(1-hydroxybutyl)propanedioate?
The molecular weight of Diethyl 2-(1-hydroxybutyl)propanedioate is 232.13107 g/mol.
Where can I buy Diethyl 2-(1-hydroxybutyl)propanedioate?
You can request a quote for Diethyl 2-(1-hydroxybutyl)propanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-(1-hydroxybutyl)propanedioate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-(1-hydroxybutyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.