![(2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide structure](/static/products/331/331639-99-7.png)
(2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
TL;DR: (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide (CAS 331639-99-7) is a chemical compound with molecular formula C22H20BrN5O3S2 and molecular weight 545.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide, (E)-3-(4-bromophenyl)-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)acrylamide, (E)-3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide, 3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]prop-2-enamide, 4-[({[3-(4-BROMOPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-N~1~-(4,6-DIMETHYL-2-PYRIMIDINYL)-1-BENZENESULFONAMIDE
| Molecular Formula | C22H20BrN5O3S2 |
|---|---|
| Molecular Weight | 545.02 g/mol |
| LogP | 4.18314 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.0191 |
| Heavy Atoms | 33 |
| Complexity | 1288.6129 |
Chemical Identifiers
| CAS Number | 331639-99-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Br)C |
Product Overview
(2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide (CAS 331639-99-7), with molecular formula C22H20BrN5O3S2 and molecular weight 545.02 g/mol. IUPAC: (E)-3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Property Insights of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
The XLogP value of 4.18314 indicates that (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide?
The CAS number of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide is 331639-99-7.
What is the molecular formula of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide?
The molecular formula of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide is C22H20BrN5O3S2.
What is the molecular weight of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide?
The molecular weight of (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide is 545.02 g/mol.
Where can I buy (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide?
You can request a quote for (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-bromophenyl)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.