RefChem:239243
TL;DR: RefChem:239243 (CAS 115398-85-1) is a chemical compound with molecular formula C22H22N6O4 and molecular weight 434.17026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((1-((4-methyl-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-, 2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione, 2-({1-[(4-Methylpiperazin-1-yl)methyl]-1H-1,3-benzimidazol-2-yl}methyl)-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[[1-[(4-methylpiperazin-1-yl)methyl]benzoimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione
Technical Specifications
| Molecular Formula | C22H22N6O4 |
| Molecular Weight | 434.17026 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.17026 Da |
| Heavy Atoms | 32 |
| Complexity | 751.0 |
| SMILES | CN1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-] |
| InChIKey | ZWKKPWLWSWMCTD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239243
Property Insights of RefChem:239243
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239243. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239243. Following Lipinski's Rule of Five, RefChem:239243 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
What is the CAS number of RefChem:239243?
The CAS number of RefChem:239243 is 115398-85-1.
What is the molecular formula of RefChem:239243?
The molecular formula of RefChem:239243 is C22H22N6O4.
What is the molecular weight of RefChem:239243?
The molecular weight of RefChem:239243 is 434.17026 g/mol.
Where can I buy RefChem:239243?
You can request a quote for RefChem:239243 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239243?
Yes, CoreyChem provides custom synthesis services for RefChem:239243 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.