(5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
TL;DR: (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone (CAS 459168-43-5) is a chemical compound with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Also Known As: (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone, (5-Bromo-2-indolyl)(4-methyl-1-piperazinyl)methanone, 5-bromo-2-(4-methylpiperazine-1-carbonyl)-1H-indole, (5-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone, (5-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C14H16BrN3O |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 2.318 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.04767 |
| Heavy Atoms | 19 |
| Complexity | 614.17865 |
Chemical Identifiers
| CAS Number | 459168-43-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Br |
Product Overview
(5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone (CAS 459168-43-5), with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol. IUPAC: (5-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
Property Insights of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
The XLogP value of 2.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 39.34 Ų, (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone has 1 hydrogen bond donor(s) and 2 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 (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone?
The CAS number of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone is 459168-43-5.
What is the molecular formula of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone?
The molecular formula of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone is C14H16BrN3O.
What is the molecular weight of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone?
The molecular weight of (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone is 321.05 g/mol.
Where can I buy (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone?
You can request a quote for (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.