2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
TL;DR: 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole (CAS 77509-50-3) is a chemical compound with molecular formula C12H10BBrN2 and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole
Also Known As: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole, 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole, 8-(4-bromophenyl)-7,9-diaza-8-borabicyclo[4.3.0]nona-1,3,5-triene, RefChem:251989
| Molecular Formula | C12H10BBrN2 |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 2.6819 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.01205 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 77509-50-3 |
|---|---|
| SMILES | B1(NC2=CC=CC=C2N1)C3=CC=C(C=C3)Br |
| InChIKey | MVPOWPUCSCAWFP-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole (CAS 77509-50-3), with molecular formula C12H10BBrN2 and molecular weight 272.01 g/mol. IUPAC: 2-(4-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborole.
Chemical Property Profile of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
Property Insights of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
The XLogP value of 2.6819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole. With a topological polar surface area (TPSA) of 24.1 Ų, 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole 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-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The CAS number of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is 77509-50-3.
What is the molecular formula of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The molecular formula of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is C12H10BBrN2.
What is the molecular weight of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The molecular weight of 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is 272.01 g/mol.
Where can I buy 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
You can request a quote for 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.