![methyl 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 structure](/static/products/4763/476366-99-1.webp)
methyl 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
TL;DR: methyl 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 (CAS 476366-99-1) is a chemical compound with molecular formula C25H20N2O7S and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 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, methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate, methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4-methylthiophene-3-carboxylate, methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(1,3-dioxo-2-isoindolinyl)methyl]carbonylamino}-4-methyl-3-thenoate
| Molecular Formula | C25H20N2O7S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 3.39732 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.09912 |
| Heavy Atoms | 35 |
| Complexity | 1359.4474 |
Chemical Identifiers
| CAS Number | 476366-99-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5 |
Product Overview
methyl 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 (CAS 476366-99-1), with molecular formula C25H20N2O7S and molecular weight 492.10 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 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
Property Insights of methyl 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
The XLogP value of 3.39732 indicates that methyl 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 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 methyl 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. Following Lipinski's Rule of Five, methyl 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 has 1 hydrogen bond donor(s) and 8 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 methyl 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?
The CAS number of methyl 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 is 476366-99-1.
What is the molecular formula of methyl 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?
The molecular formula of methyl 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 is C25H20N2O7S.
What is the molecular weight of methyl 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?
The molecular weight of methyl 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 is 492.10 g/mol.
Where can I buy methyl 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?
You can request a quote for methyl 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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 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?
Yes, KEHONG BIO provides custom synthesis services for methyl 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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.