![Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate structure](/static/products/488/488087-36-1.png)
Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate
TL;DR: Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate (CAS 488087-36-1) is a chemical compound with molecular formula C24H27ClN4O3 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate
Also Known As: Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate, methyl 3-(2-(4-benzylpiperazin-1-yl)propanamido)-5-chloro-1H-indole-2-carboxylate, methyl 3-{[2-(4-benzylpiperazin-1-yl)propanoyl]amino}-5-chloro-1H-indole-2-carboxylate
| Molecular Formula | C24H27ClN4O3 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 3.7527 |
| Topological Polar Surface Area | 77.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.17715 |
| Heavy Atoms | 32 |
| Complexity | 1107.1348 |
Chemical Identifiers
| CAS Number | 488087-36-1 |
|---|---|
| SMILES | CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate (CAS 488087-36-1), with molecular formula C24H27ClN4O3 and molecular weight 454.18 g/mol. IUPAC: methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate
Property Insights of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate
The XLogP value of 3.7527 indicates that Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate?
The CAS number of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate is 488087-36-1.
What is the molecular formula of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate?
The molecular formula of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate is C24H27ClN4O3.
What is the molecular weight of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate?
The molecular weight of Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate is 454.18 g/mol.
Where can I buy Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate?
You can request a quote for Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-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 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.