2-(4-Methylphenyl)-1,3,2-dioxaborinane
TL;DR: 2-(4-Methylphenyl)-1,3,2-dioxaborinane (CAS 4463-41-6) is a chemical compound with molecular formula C10H13BO2 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3,2-dioxaborinane
Also Known As: 2-(p-tolyl)-1,3,2-dioxaborinane, 2-p-Tolyl-1,3,2-dioxaborinane, 1,3,2-Dioxaborinane, 2-(4-methylphenyl)-, 2-(4-Methylphenyl)-1,3,2-dioxaborinane, 4-Formylbenzeneboronic acid, propane-1,3-diol cyclic ester
| Molecular Formula | C10H13BO2 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 1.12712 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.10086 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 4463-41-6 |
|---|---|
| SMILES | B1(OCCCO1)C2=CC=C(C=C2)C |
| InChIKey | RCEUNLMJWIXBBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenyl)-1,3,2-dioxaborinane (CAS 4463-41-6), with molecular formula C10H13BO2 and molecular weight 176.10 g/mol. IUPAC: 2-(4-methylphenyl)-1,3,2-dioxaborinane.
Chemical Property Profile of 2-(4-Methylphenyl)-1,3,2-dioxaborinane
Property Insights of 2-(4-Methylphenyl)-1,3,2-dioxaborinane
The XLogP value of 1.12712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-1,3,2-dioxaborinane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(4-Methylphenyl)-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-1,3,2-dioxaborinane 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 2-(4-Methylphenyl)-1,3,2-dioxaborinane?
The CAS number of 2-(4-Methylphenyl)-1,3,2-dioxaborinane is 4463-41-6.
What is the molecular formula of 2-(4-Methylphenyl)-1,3,2-dioxaborinane?
The molecular formula of 2-(4-Methylphenyl)-1,3,2-dioxaborinane is C10H13BO2.
What is the molecular weight of 2-(4-Methylphenyl)-1,3,2-dioxaborinane?
The molecular weight of 2-(4-Methylphenyl)-1,3,2-dioxaborinane is 176.10 g/mol.
Where can I buy 2-(4-Methylphenyl)-1,3,2-dioxaborinane?
You can request a quote for 2-(4-Methylphenyl)-1,3,2-dioxaborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.