(5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate
TL;DR: (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate (CAS 879736-87-5) is a chemical compound with molecular formula C17H16N2O5S2 and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate
Also Known As: F2496-1016, (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate, (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate, [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate, (dimethylamino)(oxo)-p-{[5-(2-thienyl)-3-isoxazolyl]methoxycarbonyl}phenyl-lambda-sulfaniumolate
| Molecular Formula | C17H16N2O5S2 |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 3.0104 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.05005 |
| Heavy Atoms | 26 |
| Complexity | 990.22 |
Chemical Identifiers
| CAS Number | 879736-87-5 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3 |
Product Overview
(5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate (CAS 879736-87-5), with molecular formula C17H16N2O5S2 and molecular weight 392.05 g/mol. IUPAC: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(dimethylsulfamoyl)benzoate.
Chemical Property Profile of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate
Property Insights of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate
The XLogP value of 3.0104 indicates that (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate. Following Lipinski's Rule of Five, (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate has 0 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 (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate?
The CAS number of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate is 879736-87-5.
What is the molecular formula of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate?
The molecular formula of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate is C17H16N2O5S2.
What is the molecular weight of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate?
The molecular weight of (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate is 392.05 g/mol.
Where can I buy (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate?
You can request a quote for (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.