Tributyl Citrate
TL;DR: Tributyl Citrate (CAS 77-94-1) is a chemical compound with molecular formula C18H32O7 and molecular weight 360.2148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: TRIBUTYL CITRATE, Butyl citrate, Tri-n-butyl citrate, Citroflex 4, n-Butyl citrate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H32O7 |
| Molecular Weight | 360.2148 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 360.2148 Da |
| Heavy Atoms | 25 |
| Complexity | 382.0 |
| Density | 1.05 @25 °C |
| SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O |
| InChIKey | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
Product Description
Applications: Tributyl Citrate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tributyl Citrate (CAS 77-94-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Tributyl Citrate (CAS 77-94-1) has the molecular formula C18H32O7 and a molecular weight of 360.21 g/mol. Reported properties include a density of 1.05 @25 °C g/cm³. It is also known as TRIBUTYL CITRATE and Butyl citrate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tributyl Citrate
Property Insights of Tributyl Citrate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tributyl Citrate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tributyl Citrate. Following Lipinski's Rule of Five, Tributyl Citrate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tributyl Citrate?
The CAS number of Tributyl Citrate is 77-94-1.
What is the molecular formula of Tributyl Citrate?
The molecular formula of Tributyl Citrate is C18H32O7.
What is the molecular weight of Tributyl Citrate?
The molecular weight of Tributyl Citrate is 360.2148 g/mol.
What are the applications of Tributyl Citrate?
Tributyl Citrate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tributyl Citrate (CAS 77-94-1) with custom synthesis...
Where can I buy Tributyl Citrate?
You can request a quote for Tributyl Citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tributyl Citrate?
Yes, CoreyChem provides custom synthesis services for Tributyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.