Trineopentyl orthoborate
TL;DR: Trineopentyl orthoborate (CAS 5456-06-4) is a chemical compound with molecular formula C15H33BO3 and molecular weight 272.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2,2-dimethylpropyl) borate
Also Known As: Trineopentyl orthoborate, Boricacidtris ester, tris(2,2-dimethylpropyl) borate, Boric acid trineopentyl ester, Neopentyl borate (C5H11O)3B
| Molecular Formula | C15H33BO3 |
|---|---|
| Molecular Weight | 272.25 g/mol |
| LogP | 4.16 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 272.2523 |
| Heavy Atoms | 19 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 5456-06-4 |
|---|---|
| SMILES | B(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C |
| InChIKey | CTMRSRYEXZZLLP-UHFFFAOYSA-N |
Product Overview
Trineopentyl orthoborate (CAS 5456-06-4), with molecular formula C15H33BO3 and molecular weight 272.25 g/mol. IUPAC: tris(2,2-dimethylpropyl) borate.
Chemical Property Profile of Trineopentyl orthoborate
Property Insights of Trineopentyl orthoborate
The XLogP value of 4.16 indicates that Trineopentyl orthoborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Trineopentyl orthoborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trineopentyl orthoborate 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 Trineopentyl orthoborate?
The CAS number of Trineopentyl orthoborate is 5456-06-4.
What is the molecular formula of Trineopentyl orthoborate?
The molecular formula of Trineopentyl orthoborate is C15H33BO3.
What is the molecular weight of Trineopentyl orthoborate?
The molecular weight of Trineopentyl orthoborate is 272.25 g/mol.
Where can I buy Trineopentyl orthoborate?
You can request a quote for Trineopentyl orthoborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trineopentyl orthoborate?
Yes, KEHONG BIO provides custom synthesis services for Trineopentyl orthoborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.