![4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide structure](/static/products/1107/1107648-04-3.webp)
4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide
TL;DR: 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide (CAS 1107648-04-3) is a chemical compound with molecular formula C18H19N3O5S2 and molecular weight 421.0766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide
Also Known As: BAS 00224457, AB00074556-01, 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide, (E)-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide, (E)-3-(3,4-dimethoxyphenyl)-N-((4-sulfamoylphenyl)carbamothioyl)acrylamide
Technical Specifications
| Molecular Formula | C18H19N3O5S2 |
| Molecular Weight | 421.0766 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.0766 Da |
| Heavy Atoms | 28 |
| Complexity | 669.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC |
| InChIKey | VHVKRBOBLSFEMU-ONNFQVAWSA-N |
Chemical Property Profile of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide
Property Insights of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide. The TPSA of 160.0 Ų indicates high polarity, suggesting 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide 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
What is the CAS number of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
The CAS number of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide is 1107648-04-3.
What is the molecular formula of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
The molecular formula of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide is C18H19N3O5S2.
What is the molecular weight of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
The molecular weight of 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide is 421.0766 g/mol.
Where can I buy 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
You can request a quote for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.