![2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid structure](/static/products/5329/532953-29-0.webp)
2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
TL;DR: 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 532953-29-0) is a chemical compound with molecular formula C15H8ClI2N3O5S and molecular weight 630.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
Also Known As: 2-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic Acid, 2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid, 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid
| Molecular Formula | C15H8ClI2N3O5S |
|---|---|
| Molecular Weight | 630.80 g/mol |
| LogP | 4.2824 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 630.79626 |
| Heavy Atoms | 27 |
| Complexity | 986.16504 |
Chemical Identifiers
| CAS Number | 532953-29-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O |
Product Overview
2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 532953-29-0), with molecular formula C15H8ClI2N3O5S and molecular weight 630.80 g/mol. IUPAC: 2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
Property Insights of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
The XLogP value of 4.2824 indicates that 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-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-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The CAS number of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 532953-29-0.
What is the molecular formula of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular formula of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is C15H8ClI2N3O5S.
What is the molecular weight of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular weight of 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 630.80 g/mol.
Where can I buy 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
You can request a quote for 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-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-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(2-Chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.