![4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione structure](/static/products/7082/708226-07-7.webp)
4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
TL;DR: 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione (CAS 708226-07-7) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-[1-(3-nitrophenyl)pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
Also Known As: 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione, 10,10-dimethyl-7-[1-(3-nitrophenyl)pyrrol-2-yl]-8-oxaspiro[5.5]undecane-9,11-dione, 4,4-dimethyl-1-(1-(3-nitrophenyl)-1H-pyrrol-2-yl)-2-oxaspiro[5.5]undecane-3,5-dione, 4,4-DIMETHYL-1-[1-(3-NITROPHENYL)PYRROL-2-YL]-2-OXASPIRO[5.5]UNDECANE-3,5-DIONE
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 4.5292 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 984.59375 |
Chemical Identifiers
| CAS Number | 708226-07-7 |
|---|---|
| SMILES | CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C |
Product Overview
4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione (CAS 708226-07-7), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: 4,4-dimethyl-1-[1-(3-nitrophenyl)pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione.
Chemical Property Profile of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
Property Insights of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
The XLogP value of 4.5292 indicates that 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione. Following Lipinski's Rule of Five, 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione 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 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione?
The CAS number of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione is 708226-07-7.
What is the molecular formula of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione?
The molecular formula of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione is C22H24N2O5.
What is the molecular weight of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione?
The molecular weight of 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione is 396.17 g/mol.
Where can I buy 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione?
You can request a quote for 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.