![4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid structure](/static/products/1164/1164533-58-7.webp)
4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid
TL;DR: 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid (CAS 1164533-58-7) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: 4-[({[3-(4-methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid, 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid, (E)-4-(3-(3-(4-methoxyphenyl)acryloyl)thioureido)benzoic acid, 4-({[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzoic acid
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.9198 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 798.8307 |
Chemical Identifiers
| CAS Number | 1164533-58-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid (CAS 1164533-58-7), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid
Property Insights of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid
The XLogP value of 2.9198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid has 3 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 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid?
The CAS number of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid is 1164533-58-7.
What is the molecular formula of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid?
The molecular formula of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid is C18H16N2O4S.
What is the molecular weight of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid?
The molecular weight of 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid is 356.08 g/mol.
Where can I buy 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid?
You can request a quote for 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[({[3-(4-Methoxyphenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.