Phenylacetamidomethyl Boronic Acid
TL;DR: Phenylacetamidomethyl Boronic Acid (CAS 114640-50-5) 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.
[(2-phenylacetyl)amino]methylboronic acid
Also Known As: Acylglycineboronic acid, 6, Phenylacetamidomethyl Boronic Acid, [(2-phenylacetamido)methyl]boronic acid, (2-phenylacetamido)methylboronic acid, [(2-phenylacetyl)amino]methylboronic Acid
| Molecular Formula | C9H12BNO3 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | -0.6427 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.09102 |
| Heavy Atoms | 14 |
| Complexity | 289.36835 |
Chemical Identifiers
| CAS Number | 114640-50-5 |
|---|---|
| SMILES | B(CNC(=O)CC1=CC=CC=C1)(O)O |
Product Overview
Phenylacetamidomethyl Boronic Acid (CAS 114640-50-5), with molecular formula C9H12BNO3 and molecular weight 193.09 g/mol. IUPAC: [(2-phenylacetyl)amino]methylboronic acid.
Chemical Property Profile of Phenylacetamidomethyl Boronic Acid
Property Insights of Phenylacetamidomethyl Boronic Acid
The XLogP value of -0.6427 indicates that Phenylacetamidomethyl Boronic 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 Phenylacetamidomethyl Boronic Acid. Following Lipinski's Rule of Five, Phenylacetamidomethyl Boronic 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 Phenylacetamidomethyl Boronic Acid?
The CAS number of Phenylacetamidomethyl Boronic Acid is 114640-50-5.
What is the molecular formula of Phenylacetamidomethyl Boronic Acid?
The molecular formula of Phenylacetamidomethyl Boronic Acid is C9H12BNO3.
What is the molecular weight of Phenylacetamidomethyl Boronic Acid?
The molecular weight of Phenylacetamidomethyl Boronic Acid is 193.09 g/mol.
Where can I buy Phenylacetamidomethyl Boronic Acid?
You can request a quote for Phenylacetamidomethyl Boronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetamidomethyl Boronic Acid?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetamidomethyl Boronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.