2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole
TL;DR: 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole (CAS 328964-85-8) is a chemical compound with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-nitro-1H-benzimidazole
Also Known As: CBKinase1_002025, CBKinase1_014425, BAS 01228947, 2-[(1H-Benzimidazol-2-ylthio)methyl]-6-nitro-1H-benzimidazole, Benzimidazole, 2-(2-benzimidazolylthiomethyl)-6-nitro-
| Molecular Formula | C15H11N5O2S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.06335 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 328964-85-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-] |
| InChIKey | CGHBSDJINGNECN-UHFFFAOYSA-N |
Product Overview
2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole (CAS 328964-85-8), with molecular formula C15H11N5O2S and molecular weight 325.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole
Property Insights of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole
The XLogP value of 3.3 indicates that 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole has 2 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 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole?
The CAS number of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole is 328964-85-8.
What is the molecular formula of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole?
The molecular formula of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole is C15H11N5O2S.
What is the molecular weight of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole?
The molecular weight of 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole is 325.06 g/mol.
Where can I buy 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole?
You can request a quote for 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((1H-Benzimidazol-2-ylthio)methyl)-6-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.