Benzocal
TL;DR: Benzocal (CAS 54531-52-1) is a chemical compound with molecular formula C7H9AsO5 and molecular weight 247.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
formaldehyde;(4-hydroxyphenyl)arsonic acid
Also Known As: Polybenzarsol, Benzocal, Benzodol, Polybenzarsolum, Polibenzarsol
| Molecular Formula | C7H9AsO5 |
|---|---|
| Molecular Weight | 247.97 g/mol |
| LogP | -1.23 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.9666 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 54531-52-1 |
|---|---|
| SMILES | C=O.C1=CC(=CC=C1O)[As](=O)(O)O |
| InChIKey | NMZAUYUTBVJHEZ-UHFFFAOYSA-N |
Product Overview
Benzocal (CAS 54531-52-1), with molecular formula C7H9AsO5 and molecular weight 247.97 g/mol. IUPAC: formaldehyde;(4-hydroxyphenyl)arsonic acid.
Chemical Property Profile of Benzocal
Property Insights of Benzocal
The XLogP value of -1.23 indicates that Benzocal 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 Benzocal. Following Lipinski's Rule of Five, Benzocal 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 Benzocal?
The CAS number of Benzocal is 54531-52-1.
What is the molecular formula of Benzocal?
The molecular formula of Benzocal is C7H9AsO5.
What is the molecular weight of Benzocal?
The molecular weight of Benzocal is 247.97 g/mol.
Where can I buy Benzocal?
You can request a quote for Benzocal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzocal?
Yes, KEHONG BIO provides custom synthesis services for Benzocal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.