Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate
TL;DR: Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate (CAS 55985-04-1) is a chemical compound with molecular formula C14H15NO4S and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Also Known As: N-phthaloyl methionine methyl ester, Methyl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanoate, Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate, J2.891.994H, methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
| Molecular Formula | C14H15NO4S |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.07217 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 55985-04-1 |
|---|---|
| SMILES | COC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | SZQDHZWFEQXSMQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate (CAS 55985-04-1), with molecular formula C14H15NO4S and molecular weight 293.07 g/mol. IUPAC: methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.
Chemical Property Profile of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate
Property Insights of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The CAS number of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate is 55985-04-1.
What is the molecular formula of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The molecular formula of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate is C14H15NO4S.
What is the molecular weight of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The molecular weight of Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate is 293.07 g/mol.
Where can I buy Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
You can request a quote for Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.