![3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid structure](/static/products/5324/532408-75-6.webp)
3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
TL;DR: 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 532408-75-6) is a chemical compound with molecular formula C17H13N3O5S and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: (E)-3-(3-(3-(3-nitrophenyl)acryloyl)thioureido)benzoic acid, 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 3-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
| Molecular Formula | C17H13N3O5S |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 2.8194 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.0576 |
| Heavy Atoms | 26 |
| Complexity | 910.7763 |
Chemical Identifiers
| CAS Number | 532408-75-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 532408-75-6), with molecular formula C17H13N3O5S and molecular weight 371.06 g/mol. IUPAC: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Property Insights of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.8194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid 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
Frequently Asked Questions
What is the CAS number of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The CAS number of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 532408-75-6.
What is the molecular formula of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is C17H13N3O5S.
What is the molecular weight of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 371.06 g/mol.
Where can I buy 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}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 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.