4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol
TL;DR: 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol (CAS 56705-05-6) is a chemical compound with molecular formula C8H8BBrN2O and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-hydroxy-2-methyl-2,3,1-benzodiazaborinine
Also Known As: 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol, AI-942/13331135, 4-Bromo-2-methylbenzo[d][1,2,3]diazaborinin-1(2H)-ol, 4-bromo-1-hydroxy-2-methyl-2,3,1-benzodiazaborinine
| Molecular Formula | C8H8BBrN2O |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 0.376 |
| Topological Polar Surface Area | 35.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.9913 |
| Heavy Atoms | 13 |
| Complexity | 368.9166 |
Chemical Identifiers
| CAS Number | 56705-05-6 |
|---|---|
| SMILES | B1(C2=CC=CC=C2C(=NN1C)Br)O |
Product Overview
4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol (CAS 56705-05-6), with molecular formula C8H8BBrN2O and molecular weight 237.99 g/mol. IUPAC: 4-bromo-1-hydroxy-2-methyl-2,3,1-benzodiazaborinine.
Chemical Property Profile of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol
Property Insights of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol
The XLogP value of 0.376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol. With a topological polar surface area (TPSA) of 35.83 Ų, 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol has 1 hydrogen bond donor(s) and 3 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-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol?
The CAS number of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol is 56705-05-6.
What is the molecular formula of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol?
The molecular formula of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol is C8H8BBrN2O.
What is the molecular weight of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol?
The molecular weight of 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol is 237.99 g/mol.
Where can I buy 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol?
You can request a quote for 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-methyl-2,3,1-benzodiazaborinin-1(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.