![3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid structure](/static/products/5359/535957-34-7.webp)
3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
TL;DR: 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535957-34-7) is a chemical compound with molecular formula C17H11Cl2N3O5S and molecular weight 438.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 3,5-Dichloro-2-({[3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid, 3,5-dichloro-2-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 3,5-Dichloro-2-[[[[3-(3-nitrophenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H11Cl2N3O5S |
|---|---|
| Molecular Weight | 438.98 g/mol |
| LogP | 4.1262 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.97964 |
| Heavy Atoms | 28 |
| Complexity | 1010.28253 |
Chemical Identifiers
| CAS Number | 535957-34-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid (CAS 535957-34-7), with molecular formula C17H11Cl2N3O5S and molecular weight 438.98 g/mol. IUPAC: 3,5-dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Property Insights of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
The XLogP value of 4.1262 indicates that 3,5-Dichloro-2-[3-(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 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-2-[3-(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 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The CAS number of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 535957-34-7.
What is the molecular formula of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular formula of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is C17H11Cl2N3O5S.
What is the molecular weight of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
The molecular weight of 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid is 438.98 g/mol.
Where can I buy 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
You can request a quote for 3,5-Dichloro-2-[3-(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 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-2-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.