3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone
TL;DR: 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone (CAS 17040-73-2) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one
Also Known As: BAS 00688865, 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone, 3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one, AB00092033-01, 3-Methyl-2,6-bis-(4-nitro-phenyl)-piperidin-4-one
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.4839 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 848.1352 |
Chemical Identifiers
| CAS Number | 17040-73-2 |
|---|---|
| SMILES | CC1C(NC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone (CAS 17040-73-2), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: 3-methyl-2,6-bis(4-nitrophenyl)piperidin-4-one.
Chemical Property Profile of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone
Property Insights of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone
The XLogP value of 3.4839 indicates that 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone. Following Lipinski's Rule of Five, 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone has 1 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-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone?
The CAS number of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone is 17040-73-2.
What is the molecular formula of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone?
The molecular formula of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone is C18H17N3O5.
What is the molecular weight of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone?
The molecular weight of 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone is 355.12 g/mol.
Where can I buy 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone?
You can request a quote for 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,6-bis(4-nitrophenyl)-4-piperidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.