![(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide structure](/static/products/116/1164530-18-0.png)
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide (CAS 1164530-18-0) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, (2E)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-((4-(morpholinomethyl)phenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide, 1-(4-Morpholin-4-ylmethyl-phenyl)-3-[(E)-3-(3-nitro-phenyl)-acryloyl]-thiourea
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.9534 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 940.27747 |
Chemical Identifiers
| CAS Number | 1164530-18-0 |
|---|---|
| SMILES | C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide (CAS 1164530-18-0), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 2.9534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide 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-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is 1164530-18-0.
What is the molecular formula of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is C21H22N4O4S.
What is the molecular weight of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is 426.14 g/mol.
Where can I buy (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)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)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.