4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
TL;DR: 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid (CAS 351436-89-0) is a chemical compound with molecular formula C13H9Cl4NO4S and molecular weight 414.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid
Also Known As: 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, DL-N-tetrachlorophthaloyl-methionine, AI-204/31726011, 4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid, 4-(methylsulfanyl)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
| Molecular Formula | C13H9Cl4NO4S |
|---|---|
| Molecular Weight | 414.90 g/mol |
| LogP | 4.1025 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.90063 |
| Heavy Atoms | 23 |
| Complexity | 677.66144 |
Chemical Identifiers
| CAS Number | 351436-89-0 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl |
Product Overview
4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid (CAS 351436-89-0), with molecular formula C13H9Cl4NO4S and molecular weight 414.90 g/mol. IUPAC: 4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoic acid.
Chemical Property Profile of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Property Insights of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
The XLogP value of 4.1025 indicates that 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid has 1 hydrogen bond donor(s) and 4 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 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The CAS number of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is 351436-89-0.
What is the molecular formula of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The molecular formula of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is C13H9Cl4NO4S.
What is the molecular weight of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
The molecular weight of 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid is 414.90 g/mol.
Where can I buy 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
You can request a quote for 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.