methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate (CAS 879449-10-2) is a chemical compound with molecular formula C25H30N4O3 and molecular weight 434.23 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)acetyl]amino]-1,5-dimethylindole-2-carboxylate
Also Known As: methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate, Methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1,5-dimethyl-indole-2-carboxylate, methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1,5-dimethylindole-2-carboxylate, methyl 3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-1,5-dimethyl-1H-indole-2-carboxylate
| Molecular Formula | C25H30N4O3 |
|---|---|
| Molecular Weight | 434.23 g/mol |
| LogP | 3.02962 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.23178 |
| Heavy Atoms | 32 |
| Complexity | 1115.1675 |
Chemical Identifiers
| CAS Number | 879449-10-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=C2NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC)C |
Product Overview
methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate (CAS 879449-10-2), with molecular formula C25H30N4O3 and molecular weight 434.23 g/mol. IUPAC: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1,5-dimethylindole-2-carboxylate.
Chemical Property Profile of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
The XLogP value of 3.02962 indicates that methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate has 1 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)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is 879449-10-2.
What is the molecular formula of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is C25H30N4O3.
What is the molecular weight of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is 434.23 g/mol.
Where can I buy methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-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)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.