![2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid structure](/static/products/5315/531532-83-9.webp)
2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
TL;DR: 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 531532-83-9) is a chemical compound with molecular formula C16H11Br2N3O6S and molecular weight 530.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-DIBROMO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-dibromo-2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic Acid, 3,5-dibromo-2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid, 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid, 3,5-DIBROMO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C16H11Br2N3O6S |
|---|---|
| Molecular Weight | 530.87 g/mol |
| LogP | 3.9534 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.87354 |
| Heavy Atoms | 28 |
| Complexity | 998.58514 |
Chemical Identifiers
| CAS Number | 531532-83-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O)[N+](=O)[O-] |
Product Overview
2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid (CAS 531532-83-9), with molecular formula C16H11Br2N3O6S and molecular weight 530.87 g/mol. IUPAC: 3,5-dibromo-2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
Property Insights of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid
The XLogP value of 3.9534 indicates that 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The CAS number of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 531532-83-9.
What is the molecular formula of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular formula of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is C16H11Br2N3O6S.
What is the molecular weight of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
The molecular weight of 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid is 530.87 g/mol.
Where can I buy 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
You can request a quote for 2-[[[(2,4-Dichlorobenzoyl)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-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(2,4-Dichlorobenzoyl)amino]thioxomethyl]amino]-3,5-diiodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.