![S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate structure](/static/products/1091/109123-67-3.webp)
S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate
TL;DR: S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate (CAS 109123-67-3) is a chemical compound with molecular formula C13H13NO4S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate
Also Known As: NCIOpen2_006949, S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate, S-(3-((1,3-Dioxoisoindolin-2-yl)oxy)propyl) ethanethioate, Ethanethioic Acid S-[3-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]propyl] Ester, s-{3-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)oxy]propyl} ethanethioate
| Molecular Formula | C13H13NO4S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.05652 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 109123-67-3 |
|---|---|
| SMILES | CC(=O)SCCCON1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | BQPFTDMXVHNBRF-UHFFFAOYSA-N |
Product Overview
S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate (CAS 109123-67-3), with molecular formula C13H13NO4S and molecular weight 279.06 g/mol. IUPAC: S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate.
Chemical Property Profile of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate
Property Insights of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate. Following Lipinski's Rule of Five, S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate 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 S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate?
The CAS number of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate is 109123-67-3.
What is the molecular formula of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate?
The molecular formula of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate is C13H13NO4S.
What is the molecular weight of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate?
The molecular weight of S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate is 279.06 g/mol.
Where can I buy S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate?
You can request a quote for S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[3-(1,3-dioxoisoindol-2-yl)oxypropyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.