2-(p-Tolyl)-1,3,2-benzodioxaborole
TL;DR: 2-(p-Tolyl)-1,3,2-benzodioxaborole (CAS 85107-38-6) is a chemical compound with molecular formula C13H11BO2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3,2-benzodioxaborole
Also Known As: 2-(4-Methylphenyl)-1,3,2-benzodioxaborole, 2-(p-tolyl)-1,3,2-benzodioxaborole, J2.062.653D, 1,2-Dihydroxy-benzene 4-methyl-benzeneboronate, 2-(4-Methylphenyl)-1,3,2-benzodioxaborole #
| Molecular Formula | C13H11BO2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.16162 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.0852 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 85107-38-6 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)C |
| InChIKey | FBZCVVSKGWJLOG-UHFFFAOYSA-N |
Product Overview
2-(p-Tolyl)-1,3,2-benzodioxaborole (CAS 85107-38-6), with molecular formula C13H11BO2 and molecular weight 210.09 g/mol. IUPAC: 2-(4-methylphenyl)-1,3,2-benzodioxaborole.
Chemical Property Profile of 2-(p-Tolyl)-1,3,2-benzodioxaborole
Property Insights of 2-(p-Tolyl)-1,3,2-benzodioxaborole
The XLogP value of 2.16162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(p-Tolyl)-1,3,2-benzodioxaborole. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(p-Tolyl)-1,3,2-benzodioxaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(p-Tolyl)-1,3,2-benzodioxaborole 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-(p-Tolyl)-1,3,2-benzodioxaborole?
The CAS number of 2-(p-Tolyl)-1,3,2-benzodioxaborole is 85107-38-6.
What is the molecular formula of 2-(p-Tolyl)-1,3,2-benzodioxaborole?
The molecular formula of 2-(p-Tolyl)-1,3,2-benzodioxaborole is C13H11BO2.
What is the molecular weight of 2-(p-Tolyl)-1,3,2-benzodioxaborole?
The molecular weight of 2-(p-Tolyl)-1,3,2-benzodioxaborole is 210.09 g/mol.
Where can I buy 2-(p-Tolyl)-1,3,2-benzodioxaborole?
You can request a quote for 2-(p-Tolyl)-1,3,2-benzodioxaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Tolyl)-1,3,2-benzodioxaborole?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Tolyl)-1,3,2-benzodioxaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.