1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-
TL;DR: 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- (CAS 5894-47-3) is a chemical compound with molecular formula C18H16N6O4 and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-[4-(6-nitro-1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
Also Known As: 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-, BAS 00255304, 6-nitro-2-[4-(6-nitro-1H-benzimidazol-2-yl)butyl]-1H-benzimidazole, Butane, 1,4-bis(5-nitrobenzimidazol-2-yl]-, 1,4-bis(6-nitro-1H-benzo[d]imidazol-2-yl)butane
| Molecular Formula | C18H16N6O4 |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1233 |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 5894-47-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | WHFWYIBXGBGXFO-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- (CAS 5894-47-3), with molecular formula C18H16N6O4 and molecular weight 380.12 g/mol. IUPAC: 6-nitro-2-[4-(6-nitro-1H-benzimidazol-2-yl)butyl]-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-
Property Insights of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-
The XLogP value of 3.7 indicates that 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- has 2 hydrogen bond donor(s) and 6 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-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-?
The CAS number of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- is 5894-47-3.
What is the molecular formula of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-?
The molecular formula of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- is C18H16N6O4.
What is the molecular weight of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-?
The molecular weight of 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- is 380.12 g/mol.
Where can I buy 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-?
You can request a quote for 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[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-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.