Trihexyl borate
TL;DR: Trihexyl borate (CAS 5337-36-0) is a chemical compound with molecular formula C18H39BO3 and molecular weight 314.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihexyl borate
Also Known As: Trihexyl borate, Hexyl orthoborate, Boric acid tri-n-hexyl ester, Tri-n-hexyl borate, Hexyl borate, tri-
| Molecular Formula | C18H39BO3 |
|---|---|
| Molecular Weight | 314.30 g/mol |
| LogP | 5.76 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 314.29922 |
| Heavy Atoms | 22 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5337-36-0 |
|---|---|
| SMILES | B(OCCCCCC)(OCCCCCC)OCCCCCC |
| InChIKey | KDQYHGMMZKMQAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trihexyl borate (CAS 5337-36-0), with molecular formula C18H39BO3 and molecular weight 314.30 g/mol. IUPAC: trihexyl borate.
Chemical Property Profile of Trihexyl borate
Property Insights of Trihexyl borate
The XLogP value of 5.76 indicates that Trihexyl borate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Trihexyl borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trihexyl borate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trihexyl borate?
The CAS number of Trihexyl borate is 5337-36-0.
What is the molecular formula of Trihexyl borate?
The molecular formula of Trihexyl borate is C18H39BO3.
What is the molecular weight of Trihexyl borate?
The molecular weight of Trihexyl borate is 314.30 g/mol.
Where can I buy Trihexyl borate?
You can request a quote for Trihexyl borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trihexyl borate?
Yes, KEHONG BIO provides custom synthesis services for Trihexyl borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.