![4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid structure](/static/products/5359/535965-35-6.webp)
4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 535965-35-6) is a chemical compound with molecular formula C17H12ClN3O5S and molecular weight 405.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 4-chloro-3-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 4-chloro-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid, 4-CHLORO-3-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
| Molecular Formula | C17H12ClN3O5S |
|---|---|
| Molecular Weight | 405.02 g/mol |
| LogP | 3.4728 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.01862 |
| Heavy Atoms | 27 |
| Complexity | 961.3351 |
Chemical Identifiers
| CAS Number | 535965-35-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid (CAS 535965-35-6), with molecular formula C17H12ClN3O5S and molecular weight 405.02 g/mol. IUPAC: 4-chloro-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.4728 indicates that 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-chloro-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 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 535965-35-6.
What is the molecular formula of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is C17H12ClN3O5S.
What is the molecular weight of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid is 405.02 g/mol.
Where can I buy 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-chloro-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 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-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.