3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid
TL;DR: 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid (CAS 303059-11-2) is a chemical compound with molecular formula C26H40Cl3N3O3S and molecular weight 579.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,2,2-trichloro-1-(hexadecanoylamino)ethyl]carbamothioylamino]benzoic acid
Also Known As: 3-((((2,2,2-TRICHLORO-1-(PALMITOYLAMINO)ET)AMINO)CARBOTHIOYL)AMINO)BENZOIC ACID, 3-[[2,2,2-trichloro-1-(hexadecanoylamino)ethyl]carbamothioylamino]benzoic acid, 3-[[2,2,2-trichloro-1-(hexadecanoylamino)ethyl]thiocarbamoylamino]benzoic Acid, 663-940-6, RefChem:487826
| Molecular Formula | C26H40Cl3N3O3S |
|---|---|
| Molecular Weight | 579.19 g/mol |
| LogP | 7.965 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 579.1856 |
| Heavy Atoms | 36 |
| Complexity | 806.12933 |
Chemical Identifiers
| CAS Number | 303059-11-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(=O)O |
Product Overview
3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid (CAS 303059-11-2), with molecular formula C26H40Cl3N3O3S and molecular weight 579.19 g/mol. IUPAC: 3-[[2,2,2-trichloro-1-(hexadecanoylamino)ethyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid
Property Insights of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid
The XLogP value of 7.965 indicates that 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid has 4 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-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid?
The CAS number of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid is 303059-11-2.
What is the molecular formula of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid?
The molecular formula of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid is C26H40Cl3N3O3S.
What is the molecular weight of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid?
The molecular weight of 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid is 579.19 g/mol.
Where can I buy 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid?
You can request a quote for 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)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-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((((2,2,2-Trichloro-1-(palmitoylamino)ET)amino)carbothioyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.