ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate
TL;DR: ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate (CAS 713085-13-3) is a chemical compound with molecular formula C31H33ClN4O4 and molecular weight 560.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
Also Known As: ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate, ethyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}acetyl)amino]-5-methoxy-1H-indole-2-carboxylate, ethyl 3-[[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
| Molecular Formula | C31H33ClN4O4 |
|---|---|
| Molecular Weight | 560.22 g/mol |
| LogP | 5.3523 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.21906 |
| Heavy Atoms | 40 |
| Complexity | 1464.2343 |
Chemical Identifiers
| CAS Number | 713085-13-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate (CAS 713085-13-3), with molecular formula C31H33ClN4O4 and molecular weight 560.22 g/mol. IUPAC: ethyl 3-[[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate
Property Insights of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate
The XLogP value of 5.3523 indicates that ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-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 ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate?
The CAS number of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate is 713085-13-3.
What is the molecular formula of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate is C31H33ClN4O4.
What is the molecular weight of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate is 560.22 g/mol.
Where can I buy ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-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-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetamido)-5-methoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.