Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate (CAS 313506-75-1) is a chemical compound with molecular formula C19H17NO6S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate, F0777-0246, diethyl 5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C19H17NO6S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 3.21052 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.07767 |
| Heavy Atoms | 27 |
| Complexity | 926.1046 |
Chemical Identifiers
| CAS Number | 313506-75-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate (CAS 313506-75-1), with molecular formula C19H17NO6S and molecular weight 387.08 g/mol. IUPAC: diethyl 5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.21052 indicates that Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate is 313506-75-1.
What is the molecular formula of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate is C19H17NO6S.
What is the molecular weight of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate is 387.08 g/mol.
Where can I buy Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(1,3-dioxoisoindolin-2-yl)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.