Tris(2,6-dimethylheptan-4-yl) borate
TL;DR: Tris(2,6-dimethylheptan-4-yl) borate (CAS 35717-60-3) is a chemical compound with molecular formula C27H57BO3 and molecular weight 440.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,6-dimethylheptan-4-yl) borate
Also Known As: tris(2,6-dimethylheptan-4-yl) borate, Tris[1- -3-methylbutyl]borate, tris(1-isobutyl-3-methylbutyl) borate, tris[(2,6-dimethylheptan-4-yl)oxy]borane, Tris[1-(2-methylpropyl)-3-methylbutyl] borate
| Molecular Formula | C27H57BO3 |
|---|---|
| Molecular Weight | 440.44 g/mol |
| LogP | 8.4035 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 440.44006 |
| Heavy Atoms | 31 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 35717-60-3 |
|---|---|
| SMILES | B(OC(CC(C)C)CC(C)C)(OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C |
| InChIKey | CAITWKMIMWHCLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2,6-dimethylheptan-4-yl) borate (CAS 35717-60-3), with molecular formula C27H57BO3 and molecular weight 440.44 g/mol. IUPAC: tris(2,6-dimethylheptan-4-yl) borate.
Chemical Property Profile of Tris(2,6-dimethylheptan-4-yl) borate
Property Insights of Tris(2,6-dimethylheptan-4-yl) borate
The XLogP value of 8.4035 indicates that Tris(2,6-dimethylheptan-4-yl) 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(2,6-dimethylheptan-4-yl) borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2,6-dimethylheptan-4-yl) 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(2,6-dimethylheptan-4-yl) borate?
The CAS number of Tris(2,6-dimethylheptan-4-yl) borate is 35717-60-3.
What is the molecular formula of Tris(2,6-dimethylheptan-4-yl) borate?
The molecular formula of Tris(2,6-dimethylheptan-4-yl) borate is C27H57BO3.
What is the molecular weight of Tris(2,6-dimethylheptan-4-yl) borate?
The molecular weight of Tris(2,6-dimethylheptan-4-yl) borate is 440.44 g/mol.
Where can I buy Tris(2,6-dimethylheptan-4-yl) borate?
You can request a quote for Tris(2,6-dimethylheptan-4-yl) borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2,6-dimethylheptan-4-yl) borate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2,6-dimethylheptan-4-yl) borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.