![3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid structure](/static/products/5369/536983-41-2.webp)
3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
TL;DR: 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 536983-41-2) is a chemical compound with molecular formula C15H8BrClI2N2O3S and molecular weight 663.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-[(2-bromo-3,5-diiodo-benzoyl)thiocarbamoylamino]-4-chloro-benzoic Acid, 3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]-4-chlorobenzoic acid, 3-[[[(2-BROMO-3,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
| Molecular Formula | C15H8BrClI2N2O3S |
|---|---|
| Molecular Weight | 663.72 g/mol |
| LogP | 5.1367 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 663.7217 |
| Heavy Atoms | 25 |
| Complexity | 895.32043 |
Chemical Identifiers
| CAS Number | 536983-41-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C(=CC(=C2)I)I)Br)Cl |
Product Overview
3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 536983-41-2), with molecular formula C15H8BrClI2N2O3S and molecular weight 663.72 g/mol. IUPAC: 3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
Property Insights of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
The XLogP value of 5.1367 indicates that 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The CAS number of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is 536983-41-2.
What is the molecular formula of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular formula of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is C15H8BrClI2N2O3S.
What is the molecular weight of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular weight of 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is 663.72 g/mol.
Where can I buy 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
You can request a quote for 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-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-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(2-Bromo-3,5-diiodobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.