Trimethylene borate
TL;DR: Trimethylene borate (CAS 20905-35-5) is a chemical compound with molecular formula C9H18B2O6 and molecular weight 244.12895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(1,3,2-dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane
Also Known As: Trimethylene borate, Bis(trimethylene)diborate, ?TRIMETHYLENE BORATE, 2-[3-(1,3,2-Dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane, 7110AD
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18B2O6 |
| Molecular Weight | 244.12895 g/mol |
| XLogP | 0.25 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.12895 Da |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
| SMILES | B1(OCCCO1)OCCCOB2OCCCO2 |
| InChIKey | FZNHHPNJQSIEPT-UHFFFAOYSA-N |
Chemical Property Profile of Trimethylene borate
Property Insights of Trimethylene borate
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylene borate. With a topological polar surface area (TPSA) of 55.4 Ų, Trimethylene borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylene borate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trimethylene borate?
The CAS number of Trimethylene borate is 20905-35-5.
What is the molecular formula of Trimethylene borate?
The molecular formula of Trimethylene borate is C9H18B2O6.
What is the molecular weight of Trimethylene borate?
The molecular weight of Trimethylene borate is 244.12895 g/mol.
Where can I buy Trimethylene borate?
You can request a quote for Trimethylene borate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylene borate?
Yes, CoreyChem provides custom synthesis services for Trimethylene borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.