N-(Bromoacetyl)-4-arsanilic acid
TL;DR: N-(Bromoacetyl)-4-arsanilic acid (CAS 51147-02-5) is a chemical compound with molecular formula C8H9AsBrNO4 and molecular weight 336.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-bromoacetyl)amino]phenyl]arsonic acid
Also Known As: NBAAA, BRAA, p-Bromoacetylarsanilic acid, N- -4-arsanilicacid, N-(Bromoacetyl)-4-arsanilic acid
| Molecular Formula | C8H9AsBrNO4 |
|---|---|
| Molecular Weight | 336.89 g/mol |
| LogP | -0.419 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.8931 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 51147-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CBr)[As](=O)(O)O |
| InChIKey | VATIUZAZSWNDAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Bromoacetyl)-4-arsanilic acid (CAS 51147-02-5), with molecular formula C8H9AsBrNO4 and molecular weight 336.89 g/mol. IUPAC: [4-[(2-bromoacetyl)amino]phenyl]arsonic acid.
Chemical Property Profile of N-(Bromoacetyl)-4-arsanilic acid
Property Insights of N-(Bromoacetyl)-4-arsanilic acid
The XLogP value of -0.419 indicates that N-(Bromoacetyl)-4-arsanilic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Bromoacetyl)-4-arsanilic acid. Following Lipinski's Rule of Five, N-(Bromoacetyl)-4-arsanilic acid has 3 hydrogen bond donor(s) and 4 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-(Bromoacetyl)-4-arsanilic acid?
The CAS number of N-(Bromoacetyl)-4-arsanilic acid is 51147-02-5.
What is the molecular formula of N-(Bromoacetyl)-4-arsanilic acid?
The molecular formula of N-(Bromoacetyl)-4-arsanilic acid is C8H9AsBrNO4.
What is the molecular weight of N-(Bromoacetyl)-4-arsanilic acid?
The molecular weight of N-(Bromoacetyl)-4-arsanilic acid is 336.89 g/mol.
Where can I buy N-(Bromoacetyl)-4-arsanilic acid?
You can request a quote for N-(Bromoacetyl)-4-arsanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Bromoacetyl)-4-arsanilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(Bromoacetyl)-4-arsanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.