3-Allylaminocarbonylphenylboronic acid
TL;DR: 3-Allylaminocarbonylphenylboronic acid (CAS 850567-29-2) is a chemical compound with molecular formula C10H12BNO3 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(prop-2-enylcarbamoyl)phenyl]boronic acid
Also Known As: 3-Allylaminocarbonylphenylboronic acid, (3-(Allylcarbamoyl)phenyl)boronic acid, LITHIUMAZIDE, BENZENEBORONICACID, [3-(prop-2-enylcarbamoyl)phenyl]boronic Acid
| Molecular Formula | C10H12BNO3 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | -0.7178 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.09102 |
| Heavy Atoms | 15 |
| Complexity | 365.44006 |
Chemical Identifiers
| CAS Number | 850567-29-2 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)NCC=C)(O)O |
Product Overview
3-Allylaminocarbonylphenylboronic acid (CAS 850567-29-2), with molecular formula C10H12BNO3 and molecular weight 205.09 g/mol. IUPAC: [3-(prop-2-enylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-Allylaminocarbonylphenylboronic acid
Property Insights of 3-Allylaminocarbonylphenylboronic acid
The XLogP value of -0.7178 indicates that 3-Allylaminocarbonylphenylboronic 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-Allylaminocarbonylphenylboronic acid. Following Lipinski's Rule of Five, 3-Allylaminocarbonylphenylboronic 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-Allylaminocarbonylphenylboronic acid?
The CAS number of 3-Allylaminocarbonylphenylboronic acid is 850567-29-2.
What is the molecular formula of 3-Allylaminocarbonylphenylboronic acid?
The molecular formula of 3-Allylaminocarbonylphenylboronic acid is C10H12BNO3.
What is the molecular weight of 3-Allylaminocarbonylphenylboronic acid?
The molecular weight of 3-Allylaminocarbonylphenylboronic acid is 205.09 g/mol.
Where can I buy 3-Allylaminocarbonylphenylboronic acid?
You can request a quote for 3-Allylaminocarbonylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allylaminocarbonylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Allylaminocarbonylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.