![ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate structure](/static/products/4763/476366-06-0.webp)
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
TL;DR: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate (CAS 476366-06-0) is a chemical compound with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4-methylthiophene-3-carboxylate, ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-4-methylthiophene-3-carboxylate, ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(1,3-dioxo-2-isoindolinyl)methyl]carbonylamino}-4-methyl-3-thenoate
| Molecular Formula | C26H22N2O7S |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 3.78742 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.11478 |
| Heavy Atoms | 36 |
| Complexity | 1376.2693 |
Chemical Identifiers
| CAS Number | 476366-06-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate (CAS 476366-06-0), with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Property Insights of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
The XLogP value of 3.78742 indicates that ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate is 476366-06-0.
What is the molecular formula of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate is C26H22N2O7S.
What is the molecular weight of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate is 506.11 g/mol.
Where can I buy ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-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 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.