![4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5301/530152-72-8.webp)
4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 530152-72-8) 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-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino], 4-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 4-({[3-(4-Chloro-3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 4-[[[[3-(4-CHLORO-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 | 944.0851 |
Chemical Identifiers
| CAS Number | 530152-72-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 530152-72-8), with molecular formula C17H12ClN3O5S and molecular weight 405.02 g/mol. IUPAC: 4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 3.4728 indicates that 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]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-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]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-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 530152-72-8.
What is the molecular formula of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is C17H12ClN3O5S.
What is the molecular weight of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 405.02 g/mol.
Where can I buy 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]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-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.