Tris(1-isopropyl-2-methylpropyl) borate
TL;DR: Tris(1-isopropyl-2-methylpropyl) borate (CAS 127520-80-3) is a chemical compound with molecular formula C21H45BO3 and molecular weight 356.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,4-dimethylpentan-3-yl) borate
Also Known As: tris(1-isopropyl-2-methylpropyl) borate, tris(2,4-dimethylpentan-3-yl) borate
| Molecular Formula | C21H45BO3 |
|---|---|
| Molecular Weight | 356.35 g/mol |
| LogP | 6.0629 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 356.34616 |
| Heavy Atoms | 25 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 127520-80-3 |
|---|---|
| SMILES | B(OC(C(C)C)C(C)C)(OC(C(C)C)C(C)C)OC(C(C)C)C(C)C |
| InChIKey | JMRUPZNDIIEPEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(1-isopropyl-2-methylpropyl) borate (CAS 127520-80-3), with molecular formula C21H45BO3 and molecular weight 356.35 g/mol. IUPAC: tris(2,4-dimethylpentan-3-yl) borate.
Chemical Property Profile of Tris(1-isopropyl-2-methylpropyl) borate
Property Insights of Tris(1-isopropyl-2-methylpropyl) borate
The XLogP value of 6.0629 indicates that Tris(1-isopropyl-2-methylpropyl) 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, Tris(1-isopropyl-2-methylpropyl) borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(1-isopropyl-2-methylpropyl) 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 Tris(1-isopropyl-2-methylpropyl) borate?
The CAS number of Tris(1-isopropyl-2-methylpropyl) borate is 127520-80-3.
What is the molecular formula of Tris(1-isopropyl-2-methylpropyl) borate?
The molecular formula of Tris(1-isopropyl-2-methylpropyl) borate is C21H45BO3.
What is the molecular weight of Tris(1-isopropyl-2-methylpropyl) borate?
The molecular weight of Tris(1-isopropyl-2-methylpropyl) borate is 356.35 g/mol.
Where can I buy Tris(1-isopropyl-2-methylpropyl) borate?
You can request a quote for Tris(1-isopropyl-2-methylpropyl) borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(1-isopropyl-2-methylpropyl) borate?
Yes, KEHONG BIO provides custom synthesis services for Tris(1-isopropyl-2-methylpropyl) borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.