3,5-Dinitrophenyl 3-methylpiperidyl ketone
TL;DR: 3,5-Dinitrophenyl 3-methylpiperidyl ketone (CAS 331845-89-7) is a chemical compound with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl)-(3-methylpiperidin-1-yl)methanone
Also Known As: BAS 00623620, 3,5-dinitrophenyl 3-methylpiperidyl ketone, (3,5-dinitrophenyl)-(3-methylpiperidin-1-yl)methanone, (3,5-dinitrophenyl)(3-methylpiperidin-1-yl)methanone, (3,5-DINITROPHENYL)(3-METHYLPIPERIDINO)METHANONE
| Molecular Formula | C13H15N3O5 |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 2.3751 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10117 |
| Heavy Atoms | 21 |
| Complexity | 569.21954 |
Chemical Identifiers
| CAS Number | 331845-89-7 |
|---|---|
| SMILES | CC1CCCN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-Dinitrophenyl 3-methylpiperidyl ketone (CAS 331845-89-7), with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol. IUPAC: (3,5-dinitrophenyl)-(3-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 3,5-Dinitrophenyl 3-methylpiperidyl ketone
Property Insights of 3,5-Dinitrophenyl 3-methylpiperidyl ketone
The XLogP value of 2.3751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrophenyl 3-methylpiperidyl ketone. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrophenyl 3-methylpiperidyl ketone. Following Lipinski's Rule of Five, 3,5-Dinitrophenyl 3-methylpiperidyl ketone has 0 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 3,5-Dinitrophenyl 3-methylpiperidyl ketone?
The CAS number of 3,5-Dinitrophenyl 3-methylpiperidyl ketone is 331845-89-7.
What is the molecular formula of 3,5-Dinitrophenyl 3-methylpiperidyl ketone?
The molecular formula of 3,5-Dinitrophenyl 3-methylpiperidyl ketone is C13H15N3O5.
What is the molecular weight of 3,5-Dinitrophenyl 3-methylpiperidyl ketone?
The molecular weight of 3,5-Dinitrophenyl 3-methylpiperidyl ketone is 293.10 g/mol.
Where can I buy 3,5-Dinitrophenyl 3-methylpiperidyl ketone?
You can request a quote for 3,5-Dinitrophenyl 3-methylpiperidyl ketone 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 3-methylpiperidyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrophenyl 3-methylpiperidyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.