![2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid structure](/static/products/5359/535979-18-1.webp)
2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
TL;DR: 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 535979-18-1) is a chemical compound with molecular formula C12H12ClIN2O3S and molecular weight 425.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobutanoylcarbamothioylamino)-5-iodobenzoic acid
Also Known As: 2-(4-chlorobutanoylcarbamothioylamino)-5-iodobenzoic acid, 2-(4-chlorobutanoylthiocarbamoylamino)-5-iodo-benzoic Acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C12H12ClIN2O3S |
|---|---|
| Molecular Weight | 425.93 g/mol |
| LogP | 2.8214 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.93018 |
| Heavy Atoms | 20 |
| Complexity | 539.4338 |
Chemical Identifiers
| CAS Number | 535979-18-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1I)C(=O)O)NC(=S)NC(=O)CCCCl |
Product Overview
2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 535979-18-1), with molecular formula C12H12ClIN2O3S and molecular weight 425.93 g/mol. IUPAC: 2-(4-chlorobutanoylcarbamothioylamino)-5-iodobenzoic acid.
Chemical Property Profile of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
Property Insights of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
The XLogP value of 2.8214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid has 3 hydrogen bond donor(s) and 3 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-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The CAS number of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 535979-18-1.
What is the molecular formula of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular formula of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is C12H12ClIN2O3S.
What is the molecular weight of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular weight of 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 425.93 g/mol.
Where can I buy 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
You can request a quote for 2-[[[(4-Chloro-1-oxobutyl)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-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(4-Chloro-1-oxobutyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.