4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
TL;DR: 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine (CAS 1005270-73-4) is a chemical compound with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
Also Known As: 4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine, 4,4-dimethyl-3,5-dinitro-2,6-di-o-tolylpiperidine, 4,4-Dimethyl-3,5-dinitro-2,6-di-o-tolyl-piperidine, 4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitro-piperidine
| Molecular Formula | C21H25N3O4 |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 4.00584 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1845 |
| Heavy Atoms | 28 |
| Complexity | 840.5286 |
Chemical Identifiers
| CAS Number | 1005270-73-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(C(C(N2)C3=CC=CC=C3C)[N+](=O)[O-])(C)C)[N+](=O)[O-] |
Product Overview
4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine (CAS 1005270-73-4), with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol. IUPAC: 4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine.
Chemical Property Profile of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
Property Insights of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
The XLogP value of 4.00584 indicates that 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine. Following Lipinski's Rule of Five, 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine has 1 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 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine?
The CAS number of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine is 1005270-73-4.
What is the molecular formula of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine?
The molecular formula of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine is C21H25N3O4.
What is the molecular weight of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine?
The molecular weight of 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine is 383.18 g/mol.
Where can I buy 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine?
You can request a quote for 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.