Tolboxane
TL;DR: Tolboxane (CAS 2430-46-8) is a chemical compound with molecular formula C14H21BO2 and molecular weight 232.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-methylphenyl)-5-propyl-1,3,2-dioxaborinane
Also Known As: Tolboxane, Diossoborono, Clarphoril, Tolboxan, Clarmil
| Molecular Formula | C14H21BO2 |
|---|---|
| Molecular Weight | 232.16 g/mol |
| LogP | 2.54 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.16347 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 2430-46-8 |
|---|---|
| SMILES | B1(OCC(CO1)(C)CCC)C2=CC=C(C=C2)C |
| InChIKey | WOZGAFMPOSBQCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tolboxane (CAS 2430-46-8), with molecular formula C14H21BO2 and molecular weight 232.16 g/mol. IUPAC: 5-methyl-2-(4-methylphenyl)-5-propyl-1,3,2-dioxaborinane.
Chemical Property Profile of Tolboxane
Property Insights of Tolboxane
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tolboxane. With a topological polar surface area (TPSA) of 18.5 Ų, Tolboxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tolboxane has 0 hydrogen bond donor(s) and 2 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 Tolboxane?
The CAS number of Tolboxane is 2430-46-8.
What is the molecular formula of Tolboxane?
The molecular formula of Tolboxane is C14H21BO2.
What is the molecular weight of Tolboxane?
The molecular weight of Tolboxane is 232.16 g/mol.
Where can I buy Tolboxane?
You can request a quote for Tolboxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolboxane?
Yes, KEHONG BIO provides custom synthesis services for Tolboxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.