7-Nitro-1,3,5-triazaadamantane
TL;DR: 7-Nitro-1,3,5-triazaadamantane (CAS 14612-28-3) is a chemical compound with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane
Also Known As: 7-Nitro-1,3,5-triazaadamantane, 7-nitro-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane, 1,3,5-Triaza-7-nitroadamantane, 7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane, 1,3,5-Triazaadamantane, 7-nitro-
| Molecular Formula | C7H12N4O2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.09602 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 14612-28-3 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)[N+](=O)[O-] |
| InChIKey | LPPLVTOEOMJNPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitro-1,3,5-triazaadamantane (CAS 14612-28-3), with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol. IUPAC: 7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 7-Nitro-1,3,5-triazaadamantane
Property Insights of 7-Nitro-1,3,5-triazaadamantane
The XLogP value of -0.4 indicates that 7-Nitro-1,3,5-triazaadamantane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.5 Ų, 7-Nitro-1,3,5-triazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Nitro-1,3,5-triazaadamantane 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 7-Nitro-1,3,5-triazaadamantane?
The CAS number of 7-Nitro-1,3,5-triazaadamantane is 14612-28-3.
What is the molecular formula of 7-Nitro-1,3,5-triazaadamantane?
The molecular formula of 7-Nitro-1,3,5-triazaadamantane is C7H12N4O2.
What is the molecular weight of 7-Nitro-1,3,5-triazaadamantane?
The molecular weight of 7-Nitro-1,3,5-triazaadamantane is 184.10 g/mol.
Where can I buy 7-Nitro-1,3,5-triazaadamantane?
You can request a quote for 7-Nitro-1,3,5-triazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-1,3,5-triazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-1,3,5-triazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.