1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane
TL;DR: 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane (CAS 300397-67-5) is a chemical compound with molecular formula C18H29N3O2 and molecular weight 319.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-ditert-butyl-5-nitro-5-phenyl-1,3-diazinane
Also Known As: 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane, 1,3-ditert-butyl-5-nitro-5-phenyl-1,3-diazinane, 5-nitro-5-phenyl-1,3-ditert-butyl-1,3-diazinane, 1,3-ditert-butyl-5-nitro-5-phenyl-hexahydropyrimidine
| Molecular Formula | C18H29N3O2 |
|---|---|
| Molecular Weight | 319.23 g/mol |
| LogP | 3.3307 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.22598 |
| Heavy Atoms | 23 |
| Complexity | 535.8697 |
Chemical Identifiers
| CAS Number | 300397-67-5 |
|---|---|
| SMILES | CC(C)(C)N1CC(CN(C1)C(C)(C)C)(C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane (CAS 300397-67-5), with molecular formula C18H29N3O2 and molecular weight 319.23 g/mol. IUPAC: 1,3-ditert-butyl-5-nitro-5-phenyl-1,3-diazinane.
Chemical Property Profile of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane
Property Insights of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane
The XLogP value of 3.3307 indicates that 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane has 0 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 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane?
The CAS number of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane is 300397-67-5.
What is the molecular formula of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane?
The molecular formula of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane is C18H29N3O2.
What is the molecular weight of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane?
The molecular weight of 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane is 319.23 g/mol.
Where can I buy 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane?
You can request a quote for 1,3-Di-tert-butyl-5-nitro-5-phenyl-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 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.