(2-Aminophenyl)(4-methylpiperazin-1-yl)methanone
TL;DR: (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone (CAS 57603-82-4) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-aminophenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: (2-aminophenyl)(4-methylpiperazin-1-yl)methanone, 2-(4-methylpiperazine-1-carbonyl)aniline, (2-aminophenyl)(4-methyl-1-piperazinyl)methanone, (2-aminophenyl)-(4-methylpiperazin-1-yl)methanone, 1-Methyl-4-[2-amino]benzoyl piperazine
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 57603-82-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC=CC=C2N |
| InChIKey | PEIXOOFVMXCCCT-UHFFFAOYSA-N |
Product Overview
(2-Aminophenyl)(4-methylpiperazin-1-yl)methanone (CAS 57603-82-4), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: (2-aminophenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone
Property Insights of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 49.6 Ų, (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone has 1 hydrogen bond donor(s) and 3 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-Aminophenyl)(4-methylpiperazin-1-yl)methanone?
The CAS number of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone is 57603-82-4.
What is the molecular formula of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone?
The molecular formula of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone is C12H17N3O.
What is the molecular weight of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone?
The molecular weight of (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone is 219.14 g/mol.
Where can I buy (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone?
You can request a quote for (2-Aminophenyl)(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 (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Aminophenyl)(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.