Triisobutyl borate
TL;DR: Triisobutyl borate (CAS 13195-76-1) is a chemical compound with molecular formula C12H27BO3 and molecular weight 230.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylpropyl) borate
Also Known As: Triisobutyl borate, Triisobutylborate, tris(2-methylpropyl) borate, tri-i-Butylborate, triisobutoxyborane
| Molecular Formula | C12H27BO3 |
|---|---|
| Molecular Weight | 230.21 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.20532 |
| Heavy Atoms | 16 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 13195-76-1 |
|---|---|
| SMILES | B(OCC(C)C)(OCC(C)C)OCC(C)C |
| InChIKey | LHJSLDBKUGXPMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisobutyl borate (CAS 13195-76-1), with molecular formula C12H27BO3 and molecular weight 230.21 g/mol. IUPAC: tris(2-methylpropyl) borate.
Chemical Property Profile of Triisobutyl borate
Property Insights of Triisobutyl borate
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triisobutyl borate. With a topological polar surface area (TPSA) of 27.7 Ų, Triisobutyl borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triisobutyl borate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triisobutyl borate?
The CAS number of Triisobutyl borate is 13195-76-1.
What is the molecular formula of Triisobutyl borate?
The molecular formula of Triisobutyl borate is C12H27BO3.
What is the molecular weight of Triisobutyl borate?
The molecular weight of Triisobutyl borate is 230.21 g/mol.
Where can I buy Triisobutyl borate?
You can request a quote for Triisobutyl borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisobutyl borate?
Yes, KEHONG BIO provides custom synthesis services for Triisobutyl borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.