methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate (CAS 395062-69-8) is a chemical compound with molecular formula C31H28N4O5 and molecular weight 536.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate, methyl 3-[({1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}acetyl)amino]-5-methyl-1H-indole-2-carboxylate, methyl 3-[[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate
| Molecular Formula | C31H28N4O5 |
|---|---|
| Molecular Weight | 536.21 g/mol |
| LogP | 4.09702 |
| Topological Polar Surface Area | 111.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.206 |
| Heavy Atoms | 40 |
| Complexity | 1655.3094 |
Chemical Identifiers
| CAS Number | 395062-69-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O)C(=O)OC |
Product Overview
methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate (CAS 395062-69-8), with molecular formula C31H28N4O5 and molecular weight 536.21 g/mol. IUPAC: methyl 3-[[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate
The XLogP value of 4.09702 indicates that methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.81 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate is 395062-69-8.
What is the molecular formula of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate is C31H28N4O5.
What is the molecular weight of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate is 536.21 g/mol.
Where can I buy methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-(1-((1,3-dioxoisoindolin-2-yl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.