Tris(isotridecyl) borate
TL;DR: Tris(isotridecyl) borate (CAS 59802-06-1) is a chemical compound with molecular formula C39H81BO3 and molecular weight 608.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(11-methyldodecyl) borate
Also Known As: Tris(isotridecyl) borate, tris(11-methyldodecyl) borate, J3.782.243D, Boric acid (H3BO3),triisotridecyl ester (9CI), 261-933-9
| Molecular Formula | C39H81BO3 |
|---|---|
| Molecular Weight | 608.63 g/mol |
| LogP | 13.52 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 36 |
| Exact Mass | 608.62787 |
| Heavy Atoms | 43 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 59802-06-1 |
|---|---|
| SMILES | B(OCCCCCCCCCCC(C)C)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C |
| InChIKey | BAKYBFYKXATTQM-UHFFFAOYSA-N |
Product Overview
Tris(isotridecyl) borate (CAS 59802-06-1), with molecular formula C39H81BO3 and molecular weight 608.63 g/mol. IUPAC: tris(11-methyldodecyl) borate.
Chemical Property Profile of Tris(isotridecyl) borate
Property Insights of Tris(isotridecyl) borate
The XLogP value of 13.52 indicates that Tris(isotridecyl) 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(isotridecyl) borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(isotridecyl) 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(isotridecyl) borate?
The CAS number of Tris(isotridecyl) borate is 59802-06-1.
What is the molecular formula of Tris(isotridecyl) borate?
The molecular formula of Tris(isotridecyl) borate is C39H81BO3.
What is the molecular weight of Tris(isotridecyl) borate?
The molecular weight of Tris(isotridecyl) borate is 608.63 g/mol.
Where can I buy Tris(isotridecyl) borate?
You can request a quote for Tris(isotridecyl) borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(isotridecyl) borate?
Yes, KEHONG BIO provides custom synthesis services for Tris(isotridecyl) borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.