Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-
TL;DR: Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- (CAS 16671-68-4) is a chemical compound with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
Also Known As: 2-(2-Morpholinoethyl)-5-nitrobenzimidazole, Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-, (N-Morpholino-2 ethyl)-2 nitro-5 benzimidazole, (N-Morpholino-2 ethyl)-2 nitro-5 benzimidazole [French], 2-(2-Morpholinoethyl)-5-nitro-1H-benzimidazole
| Molecular Formula | C13H16N4O3 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.12225 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 16671-68-4 |
|---|---|
| SMILES | C1COCCN1CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | LQUNJTQVGSEEBJ-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- (CAS 16671-68-4), with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol. IUPAC: 4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine.
Chemical Property Profile of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-
Property Insights of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-. Following Lipinski's Rule of Five, Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- has 1 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 Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-?
The CAS number of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- is 16671-68-4.
What is the molecular formula of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-?
The molecular formula of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- is C13H16N4O3.
What is the molecular weight of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-?
The molecular weight of Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- is 276.12 g/mol.
Where can I buy Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-?
You can request a quote for Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-(2-morpholinoethyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-(2-morpholinoethyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.