methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
TL;DR: methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (CAS 39739-05-4) 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 (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Also Known As: Methyl-(S)-2-phtalimido-4-methylthiobutanoate, (S)-2-Phthalimidyl-4-(methylthio)butanoic acid methyl ester, (alphaS)-alpha-[2-(Methylthio)ethyl]-1,3-dioxoisoindoline-2-acetic acid methyl ester, (S)-2-(1,3-Dihydro-1,3-dioxo-2H-isoindole-2-yl)-4-(methylthio)butyric acid methyl ester, methyl (2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(methylsulfanyl)butanoate
| Molecular Formula | C14H15NO4S |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.5773 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.07217 |
| Heavy Atoms | 20 |
| Complexity | 522.8598 |
Chemical Identifiers
| CAS Number | 39739-05-4 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (CAS 39739-05-4), with molecular formula C14H15NO4S and molecular weight 293.07 g/mol. IUPAC: methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.
Chemical Property Profile of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Property Insights of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
The XLogP value of 1.5773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate. Following Lipinski's Rule of Five, methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate 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 (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The CAS number of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is 39739-05-4.
What is the molecular formula of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The molecular formula of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is C14H15NO4S.
What is the molecular weight of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The molecular weight of methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is 293.07 g/mol.
Where can I buy methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
You can request a quote for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.