ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate (CAS 318271-66-8) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07 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)-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(1,3-dioxoisoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(1,3-dioxoisoindolin-2-yl)-4,5-dimethyl-thiophene-3-carboxylate, ethyl 2-(1,3-dioxoisoindolin-2-yl)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C17H15NO4S |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.07217 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 318271-66-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | BRFRRUYJPOFEQM-UHFFFAOYSA-N |
Product Overview
ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate (CAS 318271-66-8), with molecular formula C17H15NO4S and molecular weight 329.07 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.5 indicates that ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate 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)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate is 318271-66-8.
What is the molecular formula of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate is C17H15NO4S.
What is the molecular weight of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate is 329.07 g/mol.
Where can I buy ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate 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)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.