2-Isopropoxyphenylboronic acid
TL;DR: 2-Isopropoxyphenylboronic acid (CAS 138008-97-6) is a chemical compound with molecular formula C9H13BO3 and molecular weight 180.09578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-propan-2-yloxyphenyl)boronic acid
Also Known As: 2-Isopropoxyphenylboronic acid, (2-Isopropoxyphenyl)boronic acid, 2,6-Dibromoaniline, 2-Isopoxybenzeneboronic acid, akos brn-0366
Technical Specifications
| Molecular Formula | C9H13BO3 |
| Molecular Weight | 180.09578 g/mol |
| XLogP | 0.1536 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.09578 Da |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
| SMILES | B(C1=CC=CC=C1OC(C)C)(O)O |
| InChIKey | XDMKBIIRBDPSOE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropoxyphenylboronic acid
Property Insights of 2-Isopropoxyphenylboronic acid
The XLogP value of 0.1536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropoxyphenylboronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Isopropoxyphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropoxyphenylboronic acid 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 2-Isopropoxyphenylboronic acid?
The CAS number of 2-Isopropoxyphenylboronic acid is 138008-97-6.
What is the molecular formula of 2-Isopropoxyphenylboronic acid?
The molecular formula of 2-Isopropoxyphenylboronic acid is C9H13BO3.
What is the molecular weight of 2-Isopropoxyphenylboronic acid?
The molecular weight of 2-Isopropoxyphenylboronic acid is 180.09578 g/mol.
Where can I buy 2-Isopropoxyphenylboronic acid?
You can request a quote for 2-Isopropoxyphenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropoxyphenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 2-Isopropoxyphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.