1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine
TL;DR: 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine (CAS 329940-07-0) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpiperidin-1-yl)-(3,5-dinitrophenyl)methanone
Also Known As: 1-(3,5-dinitrobenzoyl)-3,5-dimethylpiperidine, BAS 00623621, (3,5-Dimethyl-1-piperidinyl)(3,5-dinitrophenyl)methanone, 3,5-dimethylpiperidyl 3,5-dinitrophenyl ketone, 1-{3,5-bisnitrobenzoyl}-3,5-dimethylpiperidine
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 2.6211 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 588.65436 |
Chemical Identifiers
| CAS Number | 329940-07-0 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine (CAS 329940-07-0), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: (3,5-dimethylpiperidin-1-yl)-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine
Property Insights of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine
The XLogP value of 2.6211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine. Following Lipinski's Rule of Five, 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine 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 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine?
The CAS number of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine is 329940-07-0.
What is the molecular formula of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine?
The molecular formula of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine is C14H17N3O5.
What is the molecular weight of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine?
The molecular weight of 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine is 307.12 g/mol.
Where can I buy 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine?
You can request a quote for 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dinitrobenzoyl)-3,5-dimethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.