methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 845633-55-8) is a chemical compound with molecular formula C19H23ClN4O5 and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
Also Known As: methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate, methyl 4-chloro-3-({[4-(ethoxycarbonyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate, methyl 4-chloro-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
| Molecular Formula | C19H23ClN4O5 |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1357 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 845633-55-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC |
| InChIKey | TUTWASLJOVNNNZ-UHFFFAOYSA-N |
Product Overview
methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 845633-55-8), with molecular formula C19H23ClN4O5 and molecular weight 422.14 g/mol. IUPAC: methyl 4-chloro-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 845633-55-8.
What is the molecular formula of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is C19H23ClN4O5.
What is the molecular weight of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 422.14 g/mol.
Where can I buy methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-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 methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-chloro-3-(2-(4-(ethoxycarbonyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.