![(2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide structure](/static/products/116/1164528-47-5.png)
(2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide
TL;DR: (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide (CAS 1164528-47-5) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide, (E)-3-(4-chlorophenyl)-N-((4-(morpholinomethyl)phenyl)carbamothioyl)acrylamide, (E)-3-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide, 1-[(E)-3-(4-Chloro-phenyl)-acryloyl]-3-(4-morpholin-4-ylmethyl-phenyl)-thiourea
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.6986 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 831.73413 |
Chemical Identifiers
| CAS Number | 1164528-47-5 |
|---|---|
| SMILES | C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
(2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide (CAS 1164528-47-5), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide
Property Insights of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide
The XLogP value of 3.6986 indicates that (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide has 2 hydrogen bond donor(s) and 4 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 (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide?
The CAS number of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide is 1164528-47-5.
What is the molecular formula of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide?
The molecular formula of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide is C21H22ClN3O2S.
What is the molecular weight of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide?
The molecular weight of (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide is 415.11 g/mol.
Where can I buy (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide?
You can request a quote for (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)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-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-chlorophenyl)-N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.