ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate
TL;DR: ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 858759-01-0) is a chemical compound with molecular formula C26H31N3O7 and molecular weight 497.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate
Also Known As: ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate, ethyl 3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate, ethyl 3-{[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
| Molecular Formula | C26H31N3O7 |
|---|---|
| Molecular Weight | 497.22 g/mol |
| LogP | 3.3758 |
| Topological Polar Surface Area | 111.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.2162 |
| Heavy Atoms | 36 |
| Complexity | 1284.5138 |
Chemical Identifiers
| CAS Number | 858759-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CN3CCC4=CC(=C(C=C4C3)OC)OC |
Product Overview
ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 858759-01-0), with molecular formula C26H31N3O7 and molecular weight 497.22 g/mol. IUPAC: ethyl 3-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate
Property Insights of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate
The XLogP value of 3.3758 indicates that ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate has 2 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 ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate?
The CAS number of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate is 858759-01-0.
What is the molecular formula of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate is C26H31N3O7.
What is the molecular weight of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate is 497.22 g/mol.
Where can I buy ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-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 ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.