(E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide
TL;DR: (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide (CAS 688014-71-3) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Also Known As: (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide, (E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide, 1-[4-(4-Acetyl-piperazin-1-yl)-phenyl]-3-[(E)-3-(4-methoxy-phenyl)-acryloyl]-thiourea, (2E)-N-({[4-(4-acetylpiperazinyl)phenyl]amino}thioxomethyl)-3-(4-methoxyphenyl )prop-2-enamide, (2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-3-(4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 2.8901 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 949.7918 |
Chemical Identifiers
| CAS Number | 688014-71-3 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC |
Product Overview
(E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide (CAS 688014-71-3), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: (E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide
Property Insights of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide
The XLogP value of 2.8901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide. Following Lipinski's Rule of Five, (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide has 2 hydrogen bond donor(s) and 5 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-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide?
The CAS number of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide is 688014-71-3.
What is the molecular formula of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide?
The molecular formula of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide is C23H26N4O3S.
What is the molecular weight of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide?
The molecular weight of (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide is 438.17 g/mol.
Where can I buy (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide?
You can request a quote for (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)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-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.