Triisobutylborane
TL;DR: Triisobutylborane (CAS 1116-39-8) is a chemical compound with molecular formula C12H27B and molecular weight 182.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylpropyl)borane
Also Known As: Triisobutylborane, tris(2-methylpropyl)borane, triisobutylboron, Borane, tris(2-methylpropyl)-, XDSSGQHOYWGIKC-UHFFFAOYSA-
| Molecular Formula | C12H27B |
|---|---|
| Molecular Weight | 182.22 g/mol |
| LogP | 4.45 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.22058 |
| Heavy Atoms | 13 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 1116-39-8 |
|---|---|
| SMILES | B(CC(C)C)(CC(C)C)CC(C)C |
| InChIKey | XDSSGQHOYWGIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisobutylborane (CAS 1116-39-8), with molecular formula C12H27B and molecular weight 182.22 g/mol. IUPAC: tris(2-methylpropyl)borane.
Chemical Property Profile of Triisobutylborane
Property Insights of Triisobutylborane
The XLogP value of 4.45 indicates that Triisobutylborane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Triisobutylborane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triisobutylborane has 0 hydrogen bond donor(s) and 0 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 Triisobutylborane?
The CAS number of Triisobutylborane is 1116-39-8.
What is the molecular formula of Triisobutylborane?
The molecular formula of Triisobutylborane is C12H27B.
What is the molecular weight of Triisobutylborane?
The molecular weight of Triisobutylborane is 182.22 g/mol.
Where can I buy Triisobutylborane?
You can request a quote for Triisobutylborane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisobutylborane?
Yes, KEHONG BIO provides custom synthesis services for Triisobutylborane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.