ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 836646-76-5) is a chemical compound with molecular formula C20H28N4O5 and molecular weight 404.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
Also Known As: ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate, ethyl 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate, ethyl 5,6-dimethoxy-3-{[(4-methylpiperazin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C20H28N4O5 |
|---|---|
| Molecular Weight | 404.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.20596 |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 836646-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CN3CCN(CC3)C |
| InChIKey | NFUKGXQUJKCOSO-UHFFFAOYSA-N |
Product Overview
ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 836646-76-5), with molecular formula C20H28N4O5 and molecular weight 404.21 g/mol. IUPAC: ethyl 5,6-dimethoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate has 2 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 ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 836646-76-5.
What is the molecular formula of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is C20H28N4O5.
What is the molecular weight of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 404.21 g/mol.
Where can I buy ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-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 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5,6-dimethoxy-3-(2-(4-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.