![5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane structure](/static/products/3787/378757-57-4.webp)
5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
TL;DR: 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 378757-57-4) is a chemical compound with molecular formula C13H22N4O4 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-5,7-dinitro-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AJ-292/15585016, 5,7-bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 2-isopropyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5s,7s)-2-isopropyl-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 6,6-dimethyl-5,7-dinitro-2-(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C13H22N4O4 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 0.6705 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1641 |
| Heavy Atoms | 21 |
| Complexity | 466.30066 |
Chemical Identifiers
| CAS Number | 378757-57-4 |
|---|---|
| SMILES | CC(C)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 378757-57-4), with molecular formula C13H22N4O4 and molecular weight 298.16 g/mol. IUPAC: 6,6-dimethyl-5,7-dinitro-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Property Insights of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 0.6705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane. Following Lipinski's Rule of Five, 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane has 0 hydrogen bond donor(s) and 6 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 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The CAS number of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 378757-57-4.
What is the molecular formula of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is C13H22N4O4.
What is the molecular weight of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 298.16 g/mol.
Where can I buy 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Bisnitro-2-isopropyl-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.