(3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
TL;DR: (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone (CAS 67023-03-4) is a chemical compound with molecular formula C12H14N4O5 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 1-(3,5-Dinitrobenzoyl)-4-methylpiperazine, BAS 00622793, (3,5-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone, 3,5-dinitrophenyl 4-methylpiperazinyl ketone, J2.180.306E
| Molecular Formula | C12H14N4O5 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 0.8906 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0964 |
| Heavy Atoms | 21 |
| Complexity | 563.0606 |
Chemical Identifiers
| CAS Number | 67023-03-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone (CAS 67023-03-4), with molecular formula C12H14N4O5 and molecular weight 294.10 g/mol. IUPAC: (3,5-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
Property Insights of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
The XLogP value of 0.8906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 6 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 (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The CAS number of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone is 67023-03-4.
What is the molecular formula of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The molecular formula of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone is C12H14N4O5.
What is the molecular weight of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The molecular weight of (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone is 294.10 g/mol.
Where can I buy (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone?
You can request a quote for (3,5-Dinitrophenyl)-(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 (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dinitrophenyl)-(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.