![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 421.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide
Also Known As: BAS 00224457, 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, (2E)-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide
| Molecular Formula | C18H19N3O5S2 |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 1.8776 |
| Topological Polar Surface Area | 119.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.0766 |
| Heavy Atoms | 28 |
| Complexity | 1002.38116 |
Chemical Identifiers
| CAS Number | 1107648-04-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC |
Product Overview
4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide (CAS 1107648-04-3), with molecular formula C18H19N3O5S2 and molecular weight 421.08 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide.
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 1.8776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide. The TPSA of 119.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide. Following Lipinski's Rule of Five, 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide has 3 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 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 421.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[3-(3,4-Dimethoxy-phenyl)-acryloyl]-thioureido}-benzenesulfonamide?
Yes, KEHONG BIO 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.