Boroxin, tris(1,1-dimethylethyl)-
TL;DR: Boroxin, tris(1,1-dimethylethyl)- (CAS 13155-00-5) is a chemical compound with molecular formula C12H27B3O3 and molecular weight 252.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tritert-butyl-1,3,5,2,4,6-trioxatriborinane
Also Known As: t-butyl boroxol, Boroxin, tri-tert-butyl-, Boroxin, tris(1,1-dimethylethyl)-, 2,4,6-Tri-tert-butylboroxin, 2,4,6-Tritert-butylboroxin #
| Molecular Formula | C12H27B3O3 |
|---|---|
| Molecular Weight | 252.22 g/mol |
| LogP | 3.9147 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.22394 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 13155-00-5 |
|---|---|
| SMILES | B1(OB(OB(O1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| InChIKey | CCTMXYGSJPAZRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Boroxin, tris(1,1-dimethylethyl)- (CAS 13155-00-5), with molecular formula C12H27B3O3 and molecular weight 252.22 g/mol. IUPAC: 2,4,6-tritert-butyl-1,3,5,2,4,6-trioxatriborinane.
Chemical Property Profile of Boroxin, tris(1,1-dimethylethyl)-
Property Insights of Boroxin, tris(1,1-dimethylethyl)-
The XLogP value of 3.9147 indicates that Boroxin, tris(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Boroxin, tris(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boroxin, tris(1,1-dimethylethyl)- 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 Boroxin, tris(1,1-dimethylethyl)-?
The CAS number of Boroxin, tris(1,1-dimethylethyl)- is 13155-00-5.
What is the molecular formula of Boroxin, tris(1,1-dimethylethyl)-?
The molecular formula of Boroxin, tris(1,1-dimethylethyl)- is C12H27B3O3.
What is the molecular weight of Boroxin, tris(1,1-dimethylethyl)-?
The molecular weight of Boroxin, tris(1,1-dimethylethyl)- is 252.22 g/mol.
Where can I buy Boroxin, tris(1,1-dimethylethyl)-?
You can request a quote for Boroxin, tris(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boroxin, tris(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Boroxin, tris(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.