4-(Dimethylcarbamoyl)phenylboronic Acid
TL;DR: 4-(Dimethylcarbamoyl)phenylboronic Acid (CAS 121554-10-7) is a chemical compound with molecular formula C9H12BNO3 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylcarbamoyl)phenyl]boronic acid
Also Known As: 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid, (4-(Dimethylcarbamoyl)phenyl)boronic acid, 4-(dimethylcarbamoyl)phenylboronic acid, [4-(dimethylcarbamoyl)phenyl]boronic Acid, 4- phenylboronicacid
| Molecular Formula | C9H12BNO3 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | -0.9318 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.09102 |
| Heavy Atoms | 14 |
| Complexity | 321.3339 |
Chemical Identifiers
| CAS Number | 121554-10-7 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O |
Product Overview
4-(Dimethylcarbamoyl)phenylboronic Acid (CAS 121554-10-7), with molecular formula C9H12BNO3 and molecular weight 193.09 g/mol. IUPAC: [4-(dimethylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 4-(Dimethylcarbamoyl)phenylboronic Acid
Property Insights of 4-(Dimethylcarbamoyl)phenylboronic Acid
The XLogP value of -0.9318 indicates that 4-(Dimethylcarbamoyl)phenylboronic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylcarbamoyl)phenylboronic Acid. Following Lipinski's Rule of Five, 4-(Dimethylcarbamoyl)phenylboronic 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 4-(Dimethylcarbamoyl)phenylboronic Acid?
The CAS number of 4-(Dimethylcarbamoyl)phenylboronic Acid is 121554-10-7.
What is the molecular formula of 4-(Dimethylcarbamoyl)phenylboronic Acid?
The molecular formula of 4-(Dimethylcarbamoyl)phenylboronic Acid is C9H12BNO3.
What is the molecular weight of 4-(Dimethylcarbamoyl)phenylboronic Acid?
The molecular weight of 4-(Dimethylcarbamoyl)phenylboronic Acid is 193.09 g/mol.
Where can I buy 4-(Dimethylcarbamoyl)phenylboronic Acid?
You can request a quote for 4-(Dimethylcarbamoyl)phenylboronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylcarbamoyl)phenylboronic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylcarbamoyl)phenylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.