2-Phenyl-1,3,2-benzodioxaborole
TL;DR: 2-Phenyl-1,3,2-benzodioxaborole (CAS 5747-23-9) is a chemical compound with molecular formula C12H9BO2 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3,2-benzodioxaborole
Also Known As: 2-Phenyl-1,3,2-benzodioxaborole, o-Phenylene benzeneboronate, 2-Phenylbenzo[d][1,3,2]dioxaborole, 1,3,2-Benzodioxaborole, 2-phenyl-, 2-phenyl-2H-1,3,2-benzodioxaborole
| Molecular Formula | C12H9BO2 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.85 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06956 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5747-23-9 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)C3=CC=CC=C3 |
| InChIKey | NDSRMXNIVBRWFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1,3,2-benzodioxaborole (CAS 5747-23-9), with molecular formula C12H9BO2 and molecular weight 196.07 g/mol. IUPAC: 2-phenyl-1,3,2-benzodioxaborole.
Chemical Property Profile of 2-Phenyl-1,3,2-benzodioxaborole
Property Insights of 2-Phenyl-1,3,2-benzodioxaborole
The XLogP value of 1.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3,2-benzodioxaborole. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Phenyl-1,3,2-benzodioxaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-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-Phenyl-1,3,2-benzodioxaborole?
The CAS number of 2-Phenyl-1,3,2-benzodioxaborole is 5747-23-9.
What is the molecular formula of 2-Phenyl-1,3,2-benzodioxaborole?
The molecular formula of 2-Phenyl-1,3,2-benzodioxaborole is C12H9BO2.
What is the molecular weight of 2-Phenyl-1,3,2-benzodioxaborole?
The molecular weight of 2-Phenyl-1,3,2-benzodioxaborole is 196.07 g/mol.
Where can I buy 2-Phenyl-1,3,2-benzodioxaborole?
You can request a quote for 2-Phenyl-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-Phenyl-1,3,2-benzodioxaborole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3,2-benzodioxaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.