![2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid structure](/static/products/5359/535946-53-3.webp)
2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 535946-53-3) 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.
2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: (E)-2-(3-(3-(3-nitrophenyl)acryloyl)thioureido)benzoic acid, 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 2-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 2-[({[3-(3-nitrophenyl)acryloyl]amino}carbonothioyl)amino]benzoic acid, 2-[[(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 | 535946-53-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 535946-53-3), with molecular formula C17H13N3O5S and molecular weight 371.06 g/mol. IUPAC: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-({[(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 2-({[(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 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(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 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 535946-53-3.
What is the molecular formula of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is C17H13N3O5S.
What is the molecular weight of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 371.06 g/mol.
Where can I buy 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-({[(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 2-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(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.