![2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane structure](/static/products/448/448911-40-8.png)
2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
TL;DR: 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 448911-40-8) is a chemical compound with molecular formula C14H24N4O4 and molecular weight 312.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AJ-292/40872004, A3283/0139711, 2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5s,7s)-2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2-butyl-5,7-bisnitro-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C14H24N4O4 |
|---|---|
| Molecular Weight | 312.18 g/mol |
| LogP | 1.2047 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.17975 |
| Heavy Atoms | 22 |
| Complexity | 468.97223 |
Chemical Identifiers
| CAS Number | 448911-40-8 |
|---|---|
| SMILES | CCCCC1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 448911-40-8), with molecular formula C14H24N4O4 and molecular weight 312.18 g/mol. IUPAC: 2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Property Insights of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 1.2047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-6,6-dimethyl-5,7-dinitro-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 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane. Following Lipinski's Rule of Five, 2-Butyl-6,6-dimethyl-5,7-dinitro-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 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The CAS number of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 448911-40-8.
What is the molecular formula of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane is C14H24N4O4.
What is the molecular weight of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 312.18 g/mol.
Where can I buy 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 2-Butyl-6,6-dimethyl-5,7-dinitro-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 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.