![(E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide structure](/static/products/1321/1321889-63-7.webp)
(E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
TL;DR: (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide (CAS 1321889-63-7) is a chemical compound with molecular formula C18H15BrCl3N3OS and molecular weight 504.9185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
Also Known As: (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide, (2E)-N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-phenylprop-2-enamide
Technical Specifications
| Molecular Formula | C18H15BrCl3N3OS |
| Molecular Weight | 504.9185 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.9185 Da |
| Heavy Atoms | 27 |
| Complexity | 530.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Br |
| InChIKey | GMVYQUVPAHXHRG-IZZDOVSWSA-N |
Chemical Property Profile of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
Property Insights of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
The XLogP value of 5.6 indicates that (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide?
The CAS number of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide is 1321889-63-7.
What is the molecular formula of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide?
The molecular formula of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide is C18H15BrCl3N3OS.
What is the molecular weight of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide?
The molecular weight of (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide is 504.9185 g/mol.
Where can I buy (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide?
You can request a quote for (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (E)-N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.