2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid
TL;DR: 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid (CAS 94135-22-5) is a chemical compound with molecular formula C16H23NO6S and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyclohexyloxy-2-hydroxypropyl)sulfamoyl]benzoic acid
Also Known As: N-Acetal Bromopride, 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid, BAS 01813524, 2-[(3-cyclohexyloxy-2-hydroxypropyl)sulfamoyl]benzoic acid, 1,1,1,3,3,3-hexafluoroisopropyl cyanoacetate
| Molecular Formula | C16H23NO6S |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.1246 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 94135-22-5 |
|---|---|
| SMILES | C1CCC(CC1)OCC(CNS(=O)(=O)C2=CC=CC=C2C(=O)O)O |
| InChIKey | YXXHXVMBCCVMMR-UHFFFAOYSA-N |
Product Overview
2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid (CAS 94135-22-5), with molecular formula C16H23NO6S and molecular weight 357.12 g/mol. IUPAC: 2-[(3-cyclohexyloxy-2-hydroxypropyl)sulfamoyl]benzoic acid.
Chemical Property Profile of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid
Property Insights of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid. Following Lipinski's Rule of Five, 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid has 3 hydrogen bond donor(s) and 7 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-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid?
The CAS number of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid is 94135-22-5.
What is the molecular formula of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid?
The molecular formula of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid is C16H23NO6S.
What is the molecular weight of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid?
The molecular weight of 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid is 357.12 g/mol.
Where can I buy 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid?
You can request a quote for 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyclohexyloxy-2-hydroxy-propylsulfamoyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.