![1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one structure](/static/products/126/126581-76-8.webp)
1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one
TL;DR: 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one (CAS 126581-76-8) is a chemical compound with molecular formula C22H22BrClN2O and molecular weight 444.0604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-7-bromo-1-[(dimethylamino)methyl]-2-methylindeno[2,3-b]pyrrol-4-one;hydrochloride
Also Known As: 1-benzyl-5-bromo-3-((dimethylamino)methyl)-2-methylindeno[2,1-b]pyrrol-8(1H)-one hydrochloride, 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one
Technical Specifications
| Molecular Formula | C22H22BrClN2O |
| Molecular Weight | 444.0604 g/mol |
| XLogP | 5.30212 |
| Topological Polar Surface Area (TPSA) | 25.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.0604 Da |
| Heavy Atoms | 27 |
| Complexity | 518.0 |
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=C2C=C(C=C4)Br)CN(C)C.Cl |
| InChIKey | HHDDOAQWJAYYSX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one
Property Insights of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one
The XLogP value of 5.30212 indicates that 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.2 Ų, 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one?
The CAS number of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one is 126581-76-8.
What is the molecular formula of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one?
The molecular formula of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one is C22H22BrClN2O.
What is the molecular weight of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one?
The molecular weight of 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one is 444.0604 g/mol.
Where can I buy 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one?
You can request a quote for 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-5-bromo-3-dimethylaminomethyl-2-methyl-1H-indeno[2,1-b]pyrrol-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.