![1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea structure](/static/products/3972/397289-95-1.webp)
1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea
TL;DR: 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea (CAS 397289-95-1) is a chemical compound with molecular formula C23H20N4O4S2 and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea, F0816-0702, N-((3-(benzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide, N-[(3-benzooxazol-2-ylphenyl)thiocarbamoyl]-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C23H20N4O4S2 |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 3.8719 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.0926 |
| Heavy Atoms | 33 |
| Complexity | 1411.8651 |
Chemical Identifiers
| CAS Number | 397289-95-1 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3 |
Product Overview
1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea (CAS 397289-95-1), with molecular formula C23H20N4O4S2 and molecular weight 480.09 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea
Property Insights of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea
The XLogP value of 3.8719 indicates that 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea. Following Lipinski's Rule of Five, 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea has 2 hydrogen bond donor(s) and 6 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 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea?
The CAS number of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea is 397289-95-1.
What is the molecular formula of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea?
The molecular formula of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea is C23H20N4O4S2.
What is the molecular weight of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea?
The molecular weight of 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea is 480.09 g/mol.
Where can I buy 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea?
You can request a quote for 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(dimethylsulfamoyl)benzoyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.