1,3-Dimethylpiperidine; 2,4,6-trinitrophenol
TL;DR: 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol (CAS 16780-02-2) is a chemical compound with molecular formula C13H18N4O7 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylpiperidine;2,4,6-trinitrophenol
Also Known As: 1,3-Dimethylpiperidine, 1,3-dimethylpiperidine; 2,4,6-trinitrophenol, 1,3-dimethylpiperidine,2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--1,3-dimethylpiperidine (1/1)
| Molecular Formula | C13H18N4O7 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.4649 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.11755 |
| Heavy Atoms | 24 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 16780-02-2 |
|---|---|
| SMILES | CC1CCCN(C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VDKXCKCUFRECLK-UHFFFAOYSA-N |
Product Overview
1,3-Dimethylpiperidine; 2,4,6-trinitrophenol (CAS 16780-02-2), with molecular formula C13H18N4O7 and molecular weight 342.12 g/mol. IUPAC: 1,3-dimethylpiperidine;2,4,6-trinitrophenol.
Chemical Property Profile of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol
Property Insights of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol
The XLogP value of 2.4649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol. The TPSA of 161.0 Ų indicates high polarity, suggesting 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 8 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-Dimethylpiperidine; 2,4,6-trinitrophenol?
The CAS number of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol is 16780-02-2.
What is the molecular formula of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol?
The molecular formula of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol is C13H18N4O7.
What is the molecular weight of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol?
The molecular weight of 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol is 342.12 g/mol.
Where can I buy 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol?
You can request a quote for 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.