3-(Isopropoxycarbonyl)benzeneboronic acid
TL;DR: 3-(Isopropoxycarbonyl)benzeneboronic acid (CAS 342002-80-6) is a chemical compound with molecular formula C10H13BO4 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-yloxycarbonylphenyl)boronic acid
Also Known As: 3-(isopropoxycarbonyl)phenylboronic acid, 3-Isopropoxycarbonylphenylboronic acid, 3-(isopropoxycarbonyl)benzeneboronic acid, (3-(Isopropoxycarbonyl)phenyl)boronic acid, ISOPROPYL 3-BORONOBENZOATE
| Molecular Formula | C10H13BO4 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | -0.0684 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.09068 |
| Heavy Atoms | 15 |
| Complexity | 349.03055 |
Chemical Identifiers
| CAS Number | 342002-80-6 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)OC(C)C)(O)O |
Product Overview
3-(Isopropoxycarbonyl)benzeneboronic acid (CAS 342002-80-6), with molecular formula C10H13BO4 and molecular weight 208.09 g/mol. IUPAC: (3-propan-2-yloxycarbonylphenyl)boronic acid.
Chemical Property Profile of 3-(Isopropoxycarbonyl)benzeneboronic acid
Property Insights of 3-(Isopropoxycarbonyl)benzeneboronic acid
The XLogP value of -0.0684 indicates that 3-(Isopropoxycarbonyl)benzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Isopropoxycarbonyl)benzeneboronic acid. Following Lipinski's Rule of Five, 3-(Isopropoxycarbonyl)benzeneboronic 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
Frequently Asked Questions
What is the CAS number of 3-(Isopropoxycarbonyl)benzeneboronic acid?
The CAS number of 3-(Isopropoxycarbonyl)benzeneboronic acid is 342002-80-6.
What is the molecular formula of 3-(Isopropoxycarbonyl)benzeneboronic acid?
The molecular formula of 3-(Isopropoxycarbonyl)benzeneboronic acid is C10H13BO4.
What is the molecular weight of 3-(Isopropoxycarbonyl)benzeneboronic acid?
The molecular weight of 3-(Isopropoxycarbonyl)benzeneboronic acid is 208.09 g/mol.
Where can I buy 3-(Isopropoxycarbonyl)benzeneboronic acid?
You can request a quote for 3-(Isopropoxycarbonyl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isopropoxycarbonyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isopropoxycarbonyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.