![1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid structure](/static/products/1380/138023-44-6.webp)
1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid
TL;DR: 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid (CAS 138023-44-6) is a chemical compound with molecular formula C10H13BN2O2 and molecular weight 204.10701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid
Technical Specifications
| Molecular Formula | C10H13BN2O2 |
| Molecular Weight | 204.10701 g/mol |
| XLogP | -0.9936 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.10701 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | B(C1=C2C(=CC=C1)N3CCN2CC3)(O)O |
| InChIKey | XKUCFGLYNIRZNE-UHFFFAOYSA-N |
Chemical Property Profile of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid
Property Insights of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid
The XLogP value of -0.9936 indicates that 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid?
The CAS number of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid is 138023-44-6.
What is the molecular formula of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid?
The molecular formula of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid is C10H13BN2O2.
What is the molecular weight of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid?
The molecular weight of 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid is 204.10701 g/mol.
Where can I buy 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid?
You can request a quote for 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid?
Yes, CoreyChem provides custom synthesis services for 1,8-Diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.