![methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate structure](/static/products/396/396101-72-7.png)
methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
TL;DR: methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate (CAS 396101-72-7) is a chemical compound with molecular formula C23H24ClN5O5 and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
Also Known As: methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate, methyl 5-chloro-3-(2-(4-(4-nitrobenzyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate, methyl 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
| Molecular Formula | C23H24ClN5O5 |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 3.2724 |
| Topological Polar Surface Area | 120.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.1466 |
| Heavy Atoms | 34 |
| Complexity | 1218.464 |
Chemical Identifiers
| CAS Number | 396101-72-7 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CN3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate (CAS 396101-72-7), with molecular formula C23H24ClN5O5 and molecular weight 485.15 g/mol. IUPAC: methyl 5-chloro-3-[[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Property Insights of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
The XLogP value of 3.2724 indicates that methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.81 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-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 methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate?
The CAS number of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate is 396101-72-7.
What is the molecular formula of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate?
The molecular formula of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate is C23H24ClN5O5.
What is the molecular weight of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate?
The molecular weight of methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate is 485.15 g/mol.
Where can I buy methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate?
You can request a quote for methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-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 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-chloro-3-({[4-(4-nitrobenzyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.