1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- (CAS 115398-91-9) is a chemical compound with molecular formula C21H21N5O6 and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-, 2-[(1-{[Bis(2-hydroxyethyl)amino]methyl}-1H-1,3-benzimidazol-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[[1-[(bis(2-hydroxyethyl)amino)methyl]benzoimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione, 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione, RefChem:239247
| Molecular Formula | C21H21N5O6 |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 0.9848 |
| Topological Polar Surface Area | 142.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.14917 |
| Heavy Atoms | 32 |
| Complexity | 1200.6084 |
Chemical Identifiers
| CAS Number | 115398-91-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CN(CCO)CCO)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- (CAS 115398-91-9), with molecular formula C21H21N5O6 and molecular weight 439.15 g/mol. IUPAC: 2-[[1-[[bis(2-hydroxyethyl)amino]methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
The XLogP value of 0.9848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-. The TPSA of 142.04 Ų indicates high polarity, suggesting 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- has 2 hydrogen bond donor(s) and 8 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 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- is 115398-91-9.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- is C21H21N5O6.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- is 439.15 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.