2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
TL;DR: 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane (CAS 866155-92-2) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
Also Known As: 2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane, (2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane, 2-[(E)-nitromethylidene]-1-(3-phenylpropyl)hexahydropyrimidine
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 1.9901 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 445.26413 |
Chemical Identifiers
| CAS Number | 866155-92-2 |
|---|---|
| SMILES | C1CNC(=C[N+](=O)[O-])N(C1)CCCC2=CC=CC=C2 |
Product Overview
2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane (CAS 866155-92-2), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: 2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane.
Chemical Property Profile of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
Property Insights of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
The XLogP value of 1.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane. With a topological polar surface area (TPSA) of 58.41 Ų, 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane has 1 hydrogen bond donor(s) and 4 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 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane?
The CAS number of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane is 866155-92-2.
What is the molecular formula of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane?
The molecular formula of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane is C14H19N3O2.
What is the molecular weight of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane?
The molecular weight of 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane is 261.15 g/mol.
Where can I buy 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane?
You can request a quote for 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.