(2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
TL;DR: (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone (CAS 349395-92-2) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: BIM-0000046.P001, 1-methyl-4-(2-methyl-3-nitrobenzoyl)piperazine, (2-methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone, 2-methyl-3-nitrophenyl 4-methylpiperazinyl ketone, (2-methyl-3-nitrophenyl)(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 349395-92-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C |
| InChIKey | NJDOSXHNWUATAD-UHFFFAOYSA-N |
Product Overview
(2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone (CAS 349395-92-2), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: (2-methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Property Insights of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 4 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-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The CAS number of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone is 349395-92-2.
What is the molecular formula of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The molecular formula of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone is C13H17N3O3.
What is the molecular weight of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The molecular weight of (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone is 263.13 g/mol.
Where can I buy (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
You can request a quote for (2-Methyl-3-nitrophenyl)-(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-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.