![(E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide structure](/static/products/1164/1164548-87-1.webp)
(E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide
TL;DR: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide (CAS 1164548-87-1) is a chemical compound with molecular formula C20H20Cl3N3OS and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide
Also Known As: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)prop-2-enamide, 3-phenyl-N-[2,2,2-trichloro-1-({[(2,5-dimethylphenyl)amino]carbonothioyl}amino)ethyl]acrylamide, (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)thiocarbamoylamino]ethyl]acrylamide, (E)-3-phenyl-N-[2,2,2-trichloro-1-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]-2-propenamide
| Molecular Formula | C20H20Cl3N3OS |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 5.11574 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.03928 |
| Heavy Atoms | 28 |
| Complexity | 866.7448 |
Chemical Identifiers
| CAS Number | 1164548-87-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
(E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide (CAS 1164548-87-1), with molecular formula C20H20Cl3N3OS and molecular weight 455.04 g/mol. IUPAC: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide.
Chemical Property Profile of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide
Property Insights of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide
The XLogP value of 5.11574 indicates that (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide?
The CAS number of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 1164548-87-1.
What is the molecular formula of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide?
The molecular formula of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide is C20H20Cl3N3OS.
What is the molecular weight of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide?
The molecular weight of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 455.04 g/mol.
Where can I buy (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide?
You can request a quote for (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]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 (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.