![2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane structure](/static/products/4489/448908-63-2.webp)
2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
TL;DR: 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 448908-63-2) is a chemical compound with molecular formula C15H24N4O4 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-3-enyl-2,6,6-trimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AJ-292/15585014, 2-(3-butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 2-But-3-enyl-2,6,6-trimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane, (1R,3S,5s,7s)-2-(but-3-en-1-yl)-2,6,6-trimethyl-5,7-dinitro-1,3-diazaadamantane, 2-(but-3-en-1-yl)-2,6,6-trimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C15H24N4O4 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 1.3708 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.17975 |
| Heavy Atoms | 23 |
| Complexity | 536.02594 |
Chemical Identifiers
| CAS Number | 448908-63-2 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3(C)CCC=C)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 448908-63-2), with molecular formula C15H24N4O4 and molecular weight 324.18 g/mol. IUPAC: 2-but-3-enyl-2,6,6-trimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Property Insights of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 1.3708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-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-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane. Following Lipinski's Rule of Five, 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-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-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The CAS number of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 448908-63-2.
What is the molecular formula of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is C15H24N4O4.
What is the molecular weight of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 324.18 g/mol.
Where can I buy 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-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-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Butenyl)-5,7-bisnitro-2,6,6-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.