(E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
TL;DR: (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide (CAS 638151-13-0) is a chemical compound with molecular formula C21H19F3N4O4S and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide, (2E)-N-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C21H19F3N4O4S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 3.9766 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.1079 |
| Heavy Atoms | 33 |
| Complexity | 1085.4197 |
Chemical Identifiers
| CAS Number | 638151-13-0 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide (CAS 638151-13-0), with molecular formula C21H19F3N4O4S and molecular weight 480.11 g/mol. IUPAC: (E)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
Property Insights of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
The XLogP value of 3.9766 indicates that (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide. Following Lipinski's Rule of Five, (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide has 2 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 (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The CAS number of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is 638151-13-0.
What is the molecular formula of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The molecular formula of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is C21H19F3N4O4S.
What is the molecular weight of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The molecular weight of (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is 480.11 g/mol.
Where can I buy (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
You can request a quote for (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.