2-Phenyl-1,3,2-benzodiazaborolidine
TL;DR: 2-Phenyl-1,3,2-benzodiazaborolidine (CAS 2479-64-3) is a chemical compound with molecular formula C12H11BN2 and molecular weight 194.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-dihydro-1,3,2-benzodiazaborole
Also Known As: 1,3,2-benzodiazaborole, 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-, 2-phenyl-1,3,2-benzodiazaborole, 2-Phenyl-1,3,2-benzodiazaborolidine, 2-phenyl-1,3-dihydro-1,3,2-benzodiazaborole
| Molecular Formula | C12H11BN2 |
|---|---|
| Molecular Weight | 194.10 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.10153 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2479-64-3 |
|---|---|
| SMILES | B1(NC2=CC=CC=C2N1)C3=CC=CC=C3 |
| InChIKey | BPFCMNQMCJTFBC-UHFFFAOYSA-N |
Product Overview
2-Phenyl-1,3,2-benzodiazaborolidine (CAS 2479-64-3), with molecular formula C12H11BN2 and molecular weight 194.10 g/mol. IUPAC: 2-phenyl-1,3-dihydro-1,3,2-benzodiazaborole.
Chemical Property Profile of 2-Phenyl-1,3,2-benzodiazaborolidine
Property Insights of 2-Phenyl-1,3,2-benzodiazaborolidine
The XLogP value of 1.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3,2-benzodiazaborolidine. With a topological polar surface area (TPSA) of 24.1 Ų, 2-Phenyl-1,3,2-benzodiazaborolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,3,2-benzodiazaborolidine has 2 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-benzodiazaborolidine?
The CAS number of 2-Phenyl-1,3,2-benzodiazaborolidine is 2479-64-3.
What is the molecular formula of 2-Phenyl-1,3,2-benzodiazaborolidine?
The molecular formula of 2-Phenyl-1,3,2-benzodiazaborolidine is C12H11BN2.
What is the molecular weight of 2-Phenyl-1,3,2-benzodiazaborolidine?
The molecular weight of 2-Phenyl-1,3,2-benzodiazaborolidine is 194.10 g/mol.
Where can I buy 2-Phenyl-1,3,2-benzodiazaborolidine?
You can request a quote for 2-Phenyl-1,3,2-benzodiazaborolidine 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-benzodiazaborolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3,2-benzodiazaborolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.