4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine
TL;DR: 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine (CAS 7522-15-8) is a chemical compound with molecular formula C8H8BBrN2 and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-2H-2,3,1-benzodiazaborinine
Also Known As: 4-bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine, 4-bromo-1-methyl-2H-2,3,1-benzodiazaborinine, AI-942/13331134, 4-bromo-1-methyl-2H-benzo[d]1,2,3-diazaborine, 4-Bromo-1-methyl-1,2-dihydrobenzo[d][1,2,3]diazaborinine
| Molecular Formula | C8H8BBrN2 |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 1.1746 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.99638 |
| Heavy Atoms | 12 |
| Complexity | 337.5847 |
Chemical Identifiers
| CAS Number | 7522-15-8 |
|---|---|
| SMILES | B1(C2=CC=CC=C2C(=NN1)Br)C |
Product Overview
4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine (CAS 7522-15-8), with molecular formula C8H8BBrN2 and molecular weight 222.00 g/mol. IUPAC: 4-bromo-1-methyl-2H-2,3,1-benzodiazaborinine.
Chemical Property Profile of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine
Property Insights of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine
The XLogP value of 1.1746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine. With a topological polar surface area (TPSA) of 24.39 Ų, 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine has 1 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 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine?
The CAS number of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine is 7522-15-8.
What is the molecular formula of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine?
The molecular formula of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine is C8H8BBrN2.
What is the molecular weight of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine?
The molecular weight of 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine is 222.00 g/mol.
Where can I buy 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine?
You can request a quote for 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methyl-1,2-dihydro-2,3,1-benzodiazaborinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.