Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate
TL;DR: Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate (CAS 6322-39-0) is a chemical compound with molecular formula C15H17NO4S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Also Known As: Oxalbrenzweinsaeure-triaethylester, ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate, ethyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate, Ethyl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanoate
| Molecular Formula | C15H17NO4S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.08783 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 6322-39-0 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | NNQWPASILSKVAT-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate (CAS 6322-39-0), with molecular formula C15H17NO4S and molecular weight 307.09 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.
Chemical Property Profile of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate
Property Insights of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 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 Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The CAS number of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate is 6322-39-0.
What is the molecular formula of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The molecular formula of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate is C15H17NO4S.
What is the molecular weight of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
The molecular weight of Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate is 307.09 g/mol.
Where can I buy Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
You can request a quote for Ethyl 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 Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 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.