![methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate structure](/static/products/385/385390-99-8.png)
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate
TL;DR: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 385390-99-8) is a chemical compound with molecular formula C25H30N4O5 and molecular weight 466.22 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]-5,6-dimethoxy-1H-indole-2-carboxylate
Also Known As: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate, methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-5,6-dimethoxy-1H-indole-2-carboxylate, methyl 3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate, 3-[[2-(4-benzylpiperazino)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester, 5,6-dimethoxy-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester
| Molecular Formula | C25H30N4O5 |
|---|---|
| Molecular Weight | 466.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.22162 |
| Heavy Atoms | 34 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 385390-99-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)OC |
| InChIKey | PCYLFDNHKJCFTM-UHFFFAOYSA-N |
Product Overview
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate (CAS 385390-99-8), with molecular formula C25H30N4O5 and molecular weight 466.22 g/mol. IUPAC: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate
Property Insights of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate
The XLogP value of 3.3 indicates that methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-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 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate?
The CAS number of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate is 385390-99-8.
What is the molecular formula of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular formula of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate is C25H30N4O5.
What is the molecular weight of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate?
The molecular weight of methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate is 466.22 g/mol.
Where can I buy methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate?
You can request a quote for methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-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)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.