TL;DR: 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol (CAS 1027308-80-0) is a chemical compound with molecular formula C5H4BBrN2OS and molecular weight 229.93208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-1-hydroxy-2H-thieno[2,3-d]diazaborinine
Also Known As: 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, 6-bromo-1-hydroxy-2H-thieno[2,3-d]diazaborinine, AI-942/13331001
| Molecular Formula | C5H4BBrN2OS |
| Molecular Weight | 229.93208 g/mol |
| XLogP | 0.1352 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.93208 Da |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
| SMILES | B1(C2=C(C=C(S2)Br)C=NN1)O |
| InChIKey | GHYGTKZUEJPSGF-UHFFFAOYSA-N |
The XLogP value of 0.1352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol. Following Lipinski's Rule of Five, 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is 1027308-80-0.
The molecular formula of 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is C5H4BBrN2OS.
The molecular weight of 6-bromothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is 229.93208 g/mol.
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