2-Bromophosphonoacetic acid
TL;DR: 2-Bromophosphonoacetic acid (CAS 5430-07-9) is a chemical compound with molecular formula C2H4BrO5P and molecular weight 217.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-phosphonoacetic acid
Also Known As: Acetic acid, bromophosphono-, 2-Bromophosphonoacetic acid, 2-bromophosphonoaceticacid, 2-bromo-2-phosphonoacetic acid, alpha-Bromophosphonoacetic acid
| Molecular Formula | C2H4BrO5P |
|---|---|
| Molecular Weight | 217.90 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.89796 |
| Heavy Atoms | 9 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5430-07-9 |
|---|---|
| SMILES | C(C(=O)O)(P(=O)(O)O)Br |
| InChIKey | QNBWULSGFJRTIR-UHFFFAOYSA-N |
Product Overview
2-Bromophosphonoacetic acid (CAS 5430-07-9), with molecular formula C2H4BrO5P and molecular weight 217.90 g/mol. IUPAC: 2-bromo-2-phosphonoacetic acid.
Chemical Property Profile of 2-Bromophosphonoacetic acid
Property Insights of 2-Bromophosphonoacetic acid
The XLogP value of -1.1 indicates that 2-Bromophosphonoacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromophosphonoacetic acid. Following Lipinski's Rule of Five, 2-Bromophosphonoacetic acid 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 2-Bromophosphonoacetic acid?
The CAS number of 2-Bromophosphonoacetic acid is 5430-07-9.
What is the molecular formula of 2-Bromophosphonoacetic acid?
The molecular formula of 2-Bromophosphonoacetic acid is C2H4BrO5P.
What is the molecular weight of 2-Bromophosphonoacetic acid?
The molecular weight of 2-Bromophosphonoacetic acid is 217.90 g/mol.
Where can I buy 2-Bromophosphonoacetic acid?
You can request a quote for 2-Bromophosphonoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromophosphonoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophosphonoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.