![2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid structure](/static/products/5369/536979-33-6.webp)
2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
TL;DR: 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 536979-33-6) is a chemical compound with molecular formula C15H10BrIN2O3S and molecular weight 503.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(4-bromobenzoyl)carbamothioylamino]-5-iodobenzoic acid, 2-[(4-bromobenzoyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[(4-bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid, 2-[[[(4-Bromobenzoyl)amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C15H10BrIN2O3S |
|---|---|
| Molecular Weight | 503.86 g/mol |
| LogP | 3.8787 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.864 |
| Heavy Atoms | 23 |
| Complexity | 780.7915 |
Chemical Identifiers
| CAS Number | 536979-33-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Br |
Product Overview
2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 536979-33-6), with molecular formula C15H10BrIN2O3S and molecular weight 503.86 g/mol. IUPAC: 2-[(4-bromobenzoyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
Property Insights of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
The XLogP value of 3.8787 indicates that 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-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 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-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 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The CAS number of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 536979-33-6.
What is the molecular formula of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular formula of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is C15H10BrIN2O3S.
What is the molecular weight of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular weight of 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 503.86 g/mol.
Where can I buy 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
You can request a quote for 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-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-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(4-Bromobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.