6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol
TL;DR: 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol (CAS 117098-94-9) is a chemical compound with molecular formula C7H8BNO2 and molecular weight 149.0648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-3H-2,1-benzoxaborol-6-amine
Also Known As: 6-Aminobenzo[c][1,2]oxaborol-1(3H)-ol, 5-Aminoboronphthalide, 1-hydroxy-3H-2,1-benzoxaborol-6-amine, 6-Amino-3H-2,1-benzoxaborol-1-ol, 2,1-Benzoxaborol-6-amine, 1,3-dihydro-1-hydroxy-
Technical Specifications
| Molecular Formula | C7H8BNO2 |
| Molecular Weight | 149.0648 g/mol |
| XLogP | -0.5135 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.0648 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| SMILES | B1(C2=C(CO1)C=CC(=C2)N)O |
| InChIKey | USCKQKQTFCBECF-UHFFFAOYSA-N |
Chemical Property Profile of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol
Property Insights of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol
The XLogP value of -0.5135 indicates that 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.5 Ų, 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol?
The CAS number of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol is 117098-94-9.
What is the molecular formula of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol?
The molecular formula of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol is C7H8BNO2.
What is the molecular weight of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol?
The molecular weight of 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol is 149.0648 g/mol.
Where can I buy 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol?
You can request a quote for 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol?
Yes, CoreyChem provides custom synthesis services for 6-Aminobenzo(c)(1,2)oxaborol-1(3H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.