(1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate
TL;DR: (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate (CAS 869714-54-5) is a chemical compound with molecular formula C18H15NO5S and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate
Also Known As: (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate, (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-[(4-methoxyphenyl)sulfanyl]acetate, (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate, (1,3-dioxoisoindolin-2-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate, (1,3-dioxoisoindol-2-yl)methyl 2-[(4-methoxyphenyl)sulfanyl]acetate
| Molecular Formula | C18H15NO5S |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 2.5842 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.0671 |
| Heavy Atoms | 25 |
| Complexity | 783.47107 |
Chemical Identifiers
| CAS Number | 869714-54-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
(1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate (CAS 869714-54-5), with molecular formula C18H15NO5S and molecular weight 357.07 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate.
Chemical Property Profile of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate
Property Insights of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate
The XLogP value of 2.5842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate. Following Lipinski's Rule of Five, (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate has 0 hydrogen bond donor(s) and 6 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 (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate?
The CAS number of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate is 869714-54-5.
What is the molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate?
The molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate is C18H15NO5S.
What is the molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate?
The molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate is 357.07 g/mol.
Where can I buy (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate?
You can request a quote for (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxoisoindolin-2-yl)methyl 2-((4-methoxyphenyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.