![7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane structure](/static/products/6966/696649-64-6.webp)
7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane
TL;DR: 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane (CAS 696649-64-6) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane
Also Known As: 7,7-dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane, 9,9-dimethyl-8-nitro-7-phenyl-1,4-dioxaspiro[4.5]decane, A3483/0147754
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.9786 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 522.3383 |
Chemical Identifiers
| CAS Number | 696649-64-6 |
|---|---|
| SMILES | CC1(CC2(CC(C1[N+](=O)[O-])C3=CC=CC=C3)OCCO2)C |
Product Overview
7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane (CAS 696649-64-6), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 7,7-dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane.
Chemical Property Profile of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane
Property Insights of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane
The XLogP value of 2.9786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane. Following Lipinski's Rule of Five, 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane has 0 hydrogen bond donor(s) and 4 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 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane?
The CAS number of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane is 696649-64-6.
What is the molecular formula of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane?
The molecular formula of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane is C16H21NO4.
What is the molecular weight of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane?
The molecular weight of 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane is 291.15 g/mol.
Where can I buy 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane?
You can request a quote for 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Dimethyl-8-nitro-9-phenyl-1,4-dioxaspiro[4.5]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.