![3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate structure](/static/products/7506/7506-03-8.webp)
3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate
TL;DR: 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate (CAS 7506-03-8) is a chemical compound with molecular formula C20H32N5O7+ and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate
Also Known As: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate, 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate
| Molecular Formula | C20H32N5O7+ |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 2.7322 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.23016 |
| Heavy Atoms | 32 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 7506-03-8 |
|---|---|
| SMILES | CC[N+]1(CC[N+]2(CCCCCC2)CC1)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KRGDYILJYWZVSB-UHFFFAOYSA-M |
Product Overview
3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate (CAS 7506-03-8), with molecular formula C20H32N5O7+ and molecular weight 454.23 g/mol. IUPAC: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate.
Chemical Property Profile of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate
Property Insights of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate
The XLogP value of 2.7322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate. The TPSA of 161.0 Ų indicates high polarity, suggesting 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate has 0 hydrogen bond donor(s) and 7 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 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate?
The CAS number of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate is 7506-03-8.
What is the molecular formula of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate?
The molecular formula of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate is C20H32N5O7+.
What is the molecular weight of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate?
The molecular weight of 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate is 454.23 g/mol.
Where can I buy 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate?
You can request a quote for 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethyl-3,6-diazoniaspiro[5.6]dodecane;2,4,6-trinitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.