3-Isopropoxybenzeneboronic acid
TL;DR: 3-Isopropoxybenzeneboronic acid (CAS 216485-86-8) is a chemical compound with molecular formula C9H13BO3 and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-yloxyphenyl)boronic acid
Also Known As: 3-Isopropoxyphenylboronic acid, (3-Isopropoxyphenyl)boronic acid, null, 3-iso-Propoxyphenylboronic acid, 3-ISOPROPOXYBENZENEBORONIC ACID
| Molecular Formula | C9H13BO3 |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 0.1536 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.09578 |
| Heavy Atoms | 13 |
| Complexity | 273.31726 |
Chemical Identifiers
| CAS Number | 216485-86-8 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)OC(C)C)(O)O |
Product Overview
3-Isopropoxybenzeneboronic acid (CAS 216485-86-8), with molecular formula C9H13BO3 and molecular weight 180.10 g/mol. IUPAC: (3-propan-2-yloxyphenyl)boronic acid.
Chemical Property Profile of 3-Isopropoxybenzeneboronic acid
Property Insights of 3-Isopropoxybenzeneboronic acid
The XLogP value of 0.1536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxybenzeneboronic acid. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Isopropoxybenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropoxybenzeneboronic 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
Frequently Asked Questions
What is the CAS number of 3-Isopropoxybenzeneboronic acid?
The CAS number of 3-Isopropoxybenzeneboronic acid is 216485-86-8.
What is the molecular formula of 3-Isopropoxybenzeneboronic acid?
The molecular formula of 3-Isopropoxybenzeneboronic acid is C9H13BO3.
What is the molecular weight of 3-Isopropoxybenzeneboronic acid?
The molecular weight of 3-Isopropoxybenzeneboronic acid is 180.10 g/mol.
Where can I buy 3-Isopropoxybenzeneboronic acid?
You can request a quote for 3-Isopropoxybenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxybenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxybenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.