3-(Methylcarbamoyl)benzeneboronic acid
TL;DR: 3-(Methylcarbamoyl)benzeneboronic acid (CAS 832695-88-2) is a chemical compound with molecular formula C8H10BNO3 and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(methylcarbamoyl)phenyl]boronic acid
Also Known As: 3-(N-Methylaminocarbonyl)phenylboronic acid, (3-(Methylcarbamoyl)phenyl)boronic acid, 3-(Methylcarbamoyl)benzeneboronic acid, [3-(methylcarbamoyl)phenyl]boronic Acid, 3-(methylcarbamoyl)phenylboronic acid
| Molecular Formula | C8H10BNO3 |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | -1.274 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.07538 |
| Heavy Atoms | 13 |
| Complexity | 314.0124 |
Chemical Identifiers
| CAS Number | 832695-88-2 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)NC)(O)O |
Product Overview
3-(Methylcarbamoyl)benzeneboronic acid (CAS 832695-88-2), with molecular formula C8H10BNO3 and molecular weight 179.08 g/mol. IUPAC: [3-(methylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-(Methylcarbamoyl)benzeneboronic acid
Property Insights of 3-(Methylcarbamoyl)benzeneboronic acid
The XLogP value of -1.274 indicates that 3-(Methylcarbamoyl)benzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylcarbamoyl)benzeneboronic acid. Following Lipinski's Rule of Five, 3-(Methylcarbamoyl)benzeneboronic acid has 3 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-(Methylcarbamoyl)benzeneboronic acid?
The CAS number of 3-(Methylcarbamoyl)benzeneboronic acid is 832695-88-2.
What is the molecular formula of 3-(Methylcarbamoyl)benzeneboronic acid?
The molecular formula of 3-(Methylcarbamoyl)benzeneboronic acid is C8H10BNO3.
What is the molecular weight of 3-(Methylcarbamoyl)benzeneboronic acid?
The molecular weight of 3-(Methylcarbamoyl)benzeneboronic acid is 179.08 g/mol.
Where can I buy 3-(Methylcarbamoyl)benzeneboronic acid?
You can request a quote for 3-(Methylcarbamoyl)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-(Methylcarbamoyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylcarbamoyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.