![6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile structure](/static/products/4780/478041-33-7.webp)
6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
TL;DR: 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile (CAS 478041-33-7) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-2,2-dicarbonitrile
Also Known As: 6,6-dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile, 3R-0867, 6,6-dimethyl-1-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-2,2-dicarbonitrile, 6,6-dimethyl-1-(4-nitrophenyl)-4,8-dioxo-spiro[2.5]octane-2,2-dicarbonitrile
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.67016 |
| Topological Polar Surface Area | 124.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 852.38165 |
Chemical Identifiers
| CAS Number | 478041-33-7 |
|---|---|
| SMILES | CC1(CC(=O)C2(C(C2(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C |
Product Overview
6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile (CAS 478041-33-7), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: 6,6-dimethyl-1-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-2,2-dicarbonitrile.
Chemical Property Profile of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
Property Insights of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
The XLogP value of 2.67016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile. The TPSA of 124.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 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 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile?
The CAS number of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile is 478041-33-7.
What is the molecular formula of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile?
The molecular formula of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile is C18H15N3O4.
What is the molecular weight of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile?
The molecular weight of 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile is 337.11 g/mol.
Where can I buy 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile?
You can request a quote for 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.