Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
TL;DR: Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate (CAS 438487-66-2) is a chemical compound with molecular formula C21H19NO5S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
Also Known As: benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate, Phenylmethyl 2-hydroxy-5-[[(phenylmethyl)amino]sulfonyl]benzoate
| Molecular Formula | C21H19NO5S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 3.2277 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0984 |
| Heavy Atoms | 28 |
| Complexity | 1050.6687 |
Chemical Identifiers
| CAS Number | 438487-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate (CAS 438487-66-2), with molecular formula C21H19NO5S and molecular weight 397.10 g/mol. IUPAC: benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate.
Chemical Property Profile of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
Property Insights of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
The XLogP value of 3.2277 indicates that Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate. Following Lipinski's Rule of Five, Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate has 2 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 Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The CAS number of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is 438487-66-2.
What is the molecular formula of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The molecular formula of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is C21H19NO5S.
What is the molecular weight of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The molecular weight of Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is 397.10 g/mol.
Where can I buy Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
You can request a quote for Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-(benzylsulfamoyl)-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.