N-Bromoacetylethanolamine phosphate
TL;DR: N-Bromoacetylethanolamine phosphate (CAS 5468-56-4) is a chemical compound with molecular formula C4H9BrNO5P and molecular weight 260.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromoacetyl)amino]ethyl dihydrogen phosphate
Also Known As: N-Bromoacetylethanolamine phosphate, Bromoacetamide-PEG1-phosphate, 2-[(2-bromoacetyl)amino]ethyl dihydrogen phosphate, 2-(2-Bromoacetamido)ethyl dihydrogen phosphate, 2-(Bromoacetylamino)ethanol phosphoric acid
| Molecular Formula | C4H9BrNO5P |
|---|---|
| Molecular Weight | 260.94 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.94016 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 5468-56-4 |
|---|---|
| SMILES | C(COP(=O)(O)O)NC(=O)CBr |
| InChIKey | MUORYJVNLAHVKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Bromoacetylethanolamine phosphate (CAS 5468-56-4), with molecular formula C4H9BrNO5P and molecular weight 260.94 g/mol. IUPAC: 2-[(2-bromoacetyl)amino]ethyl dihydrogen phosphate.
Chemical Property Profile of N-Bromoacetylethanolamine phosphate
Property Insights of N-Bromoacetylethanolamine phosphate
The XLogP value of -1.4 indicates that N-Bromoacetylethanolamine phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Bromoacetylethanolamine phosphate. Following Lipinski's Rule of Five, N-Bromoacetylethanolamine phosphate has 3 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 N-Bromoacetylethanolamine phosphate?
The CAS number of N-Bromoacetylethanolamine phosphate is 5468-56-4.
What is the molecular formula of N-Bromoacetylethanolamine phosphate?
The molecular formula of N-Bromoacetylethanolamine phosphate is C4H9BrNO5P.
What is the molecular weight of N-Bromoacetylethanolamine phosphate?
The molecular weight of N-Bromoacetylethanolamine phosphate is 260.94 g/mol.
Where can I buy N-Bromoacetylethanolamine phosphate?
You can request a quote for N-Bromoacetylethanolamine phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bromoacetylethanolamine phosphate?
Yes, KEHONG BIO provides custom synthesis services for N-Bromoacetylethanolamine phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.