![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one structure](/static/products/850/850159-45-4.png)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one (CAS 850159-45-4) is a chemical compound with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one, 2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one
| Molecular Formula | C25H29N3O3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 3.90244 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.2209 |
| Heavy Atoms | 31 |
| Complexity | 1128.4878 |
Chemical Identifiers
| CAS Number | 850159-45-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one (CAS 850159-45-4), with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one
The XLogP value of 3.90244 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one 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 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one is 850159-45-4.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one is C25H29N3O3.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one is 419.22 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one?
You can request a quote for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.