![methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate structure](/static/products/849/849035-14-9.png)
methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate (CAS 849035-14-9) is a chemical compound with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate, methyl 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)acetamido)-4-methyl-1H-indole-2-carboxylate, methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
| Molecular Formula | C25H28N4O5 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 2.74792 |
| Topological Polar Surface Area | 96.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.20596 |
| Heavy Atoms | 34 |
| Complexity | 1229.5142 |
Chemical Identifiers
| CAS Number | 849035-14-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC |
Product Overview
methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate (CAS 849035-14-9), with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol. IUPAC: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate
The XLogP value of 2.74792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate. The TPSA of 96.13 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-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-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate is 849035-14-9.
What is the molecular formula of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate is C25H28N4O5.
What is the molecular weight of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate is 464.21 g/mol.
Where can I buy methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-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-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.