p-Boronophenylalanine
TL;DR: p-Boronophenylalanine (CAS 90580-64-6) is a chemical compound with molecular formula C9H12BNO4 and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(4-boronophenyl)propanoic acid
Also Known As: 4-Borono-DL-phenylalanine, p-Boronophenylalanine, 4-Borono-L-phenylalanine, steboronine, boronophenylalanine
| Molecular Formula | C9H12BNO4 |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | -1.68 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08594 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 90580-64-6 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O |
| InChIKey | NFIVJOSXJDORSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Boronophenylalanine (CAS 90580-64-6), with molecular formula C9H12BNO4 and molecular weight 209.09 g/mol. IUPAC: 2-amino-3-(4-boronophenyl)propanoic acid.
Chemical Property Profile of p-Boronophenylalanine
Property Insights of p-Boronophenylalanine
The XLogP value of -1.68 indicates that p-Boronophenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Boronophenylalanine. Following Lipinski's Rule of Five, p-Boronophenylalanine has 4 hydrogen bond donor(s) and 5 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 p-Boronophenylalanine?
The CAS number of p-Boronophenylalanine is 90580-64-6.
What is the molecular formula of p-Boronophenylalanine?
The molecular formula of p-Boronophenylalanine is C9H12BNO4.
What is the molecular weight of p-Boronophenylalanine?
The molecular weight of p-Boronophenylalanine is 209.09 g/mol.
Where can I buy p-Boronophenylalanine?
You can request a quote for p-Boronophenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Boronophenylalanine?
Yes, KEHONG BIO provides custom synthesis services for p-Boronophenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.