![3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene structure](/static/products/2454/24543-30-4.webp)
3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
TL;DR: 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene (CAS 24543-30-4) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Also Known As: 3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene, 3-methyl-1,5-dinitro-3-azabicyclo-[3.3.1]non-6-ene, 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]nona-7-ene
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 24543-30-4 |
|---|---|
| SMILES | CN1CC2(CC=CC(C2)(C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UJTVOFSDBXXRSP-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene (CAS 24543-30-4), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene.
Chemical Property Profile of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Property Insights of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene. Following Lipinski's Rule of Five, 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene 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 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene?
The CAS number of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene is 24543-30-4.
What is the molecular formula of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene?
The molecular formula of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene is C9H13N3O4.
What is the molecular weight of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene?
The molecular weight of 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene is 227.09 g/mol.
Where can I buy 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene?
You can request a quote for 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.