![N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide structure](/static/products/1164/1164522-25-1.webp)
N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
TL;DR: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide (CAS 1164522-25-1) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
Also Known As: AB00112314-01, N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide, N-[3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]benzamide, N-{3-[({[3-(3-nitrophenyl)acryloyl]amino}carbonothioyl)amino]phenyl}benzamide, (2E)-3-(3-nitrophenyl)-N-({[3-(phenylcarbonylamino)phenyl]amino}thioxomethyl)p rop-2-enamide
Technical Specifications
| Molecular Formula | C23H18N4O4S |
| Molecular Weight | 446.1049 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1049 Da |
| Heavy Atoms | 32 |
| Complexity | 717.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | VBWQYWAUTRYAIK-OUKQBFOZSA-N |
Chemical Property Profile of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
Property Insights of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
The XLogP value of 4.6 indicates that N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide?
The CAS number of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide is 1164522-25-1.
What is the molecular formula of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide?
The molecular formula of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide is C23H18N4O4S.
What is the molecular weight of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide?
The molecular weight of N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide is 446.1049 g/mol.
Where can I buy N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide?
You can request a quote for N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide?
Yes, CoreyChem provides custom synthesis services for N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.