![2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide structure](/static/products/587/587841-64-3.png)
2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide
TL;DR: 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide (CAS 587841-64-3) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide
Also Known As: 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide, 2-[({[3-(4-methylphenyl)acryloyl]amino}carbonothioyl)amino]benzamide, 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 2.62032 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 798.1661 |
Chemical Identifiers
| CAS Number | 587841-64-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N |
Product Overview
2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide (CAS 587841-64-3), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide.
Chemical Property Profile of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide
Property Insights of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide
The XLogP value of 2.62032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide. Following Lipinski's Rule of Five, 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide has 3 hydrogen bond donor(s) and 3 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 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide?
The CAS number of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide is 587841-64-3.
What is the molecular formula of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide?
The molecular formula of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide is C18H17N3O2S.
What is the molecular weight of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide?
The molecular weight of 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide is 339.10 g/mol.
Where can I buy 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide?
You can request a quote for 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.