![2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid structure](/static/products/5301/530152-91-1.webp)
2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid
TL;DR: 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid (CAS 530152-91-1) 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.
2-chloro-5-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid, 2-chloro-5-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid, 2-Chloro-5-[[[[3-(4-chloro-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 | 530152-91-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid (CAS 530152-91-1), with molecular formula C17H11Cl2N3O5S and molecular weight 438.98 g/mol. IUPAC: 2-chloro-5-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid.
Chemical Property Profile of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid
Property Insights of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid
The XLogP value of 4.1262 indicates that 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]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 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid. Following Lipinski's Rule of Five, 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]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-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid?
The CAS number of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid is 530152-91-1.
What is the molecular formula of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid?
The molecular formula of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid is C17H11Cl2N3O5S.
What is the molecular weight of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid?
The molecular weight of 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid is 438.98 g/mol.
Where can I buy 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid?
You can request a quote for 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]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-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.