![1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane structure](/static/products/4178/41786-90-7.webp)
1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
TL;DR: 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane (CAS 41786-90-7) is a chemical compound with molecular formula C14H18N7O2+ and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Also Known As: 1-[(6-Nitro-1H-indazol-1-yl)methyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium, 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
| Molecular Formula | C14H18N7O2+ |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1522 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 41786-90-7 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4 |
| InChIKey | CBASLEJYAOSWDL-UHFFFAOYSA-N |
Product Overview
1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane (CAS 41786-90-7), with molecular formula C14H18N7O2+ and molecular weight 316.15 g/mol. IUPAC: 1-[(6-nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Property Insights of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane. Following Lipinski's Rule of Five, 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]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 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane?
The CAS number of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane is 41786-90-7.
What is the molecular formula of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane?
The molecular formula of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane is C14H18N7O2+.
What is the molecular weight of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane?
The molecular weight of 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane is 316.15 g/mol.
Where can I buy 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane?
You can request a quote for 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Nitroindazol-1-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.