2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole
TL;DR: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole (CAS 477280-90-3) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole
Also Known As: CBKinase1_002636, CBKinase1_015036, 2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole, BRD-K84011040-001-01-1, 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 4.79236 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1141.4998 |
Chemical Identifiers
| CAS Number | 477280-90-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)SC3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-] |
Product Overview
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole (CAS 477280-90-3), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole.
Chemical Property Profile of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole
Property Insights of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole
The XLogP value of 4.79236 indicates that 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole 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 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole?
The CAS number of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole is 477280-90-3.
What is the molecular formula of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole?
The molecular formula of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole is C20H19N5O2S.
What is the molecular weight of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole?
The molecular weight of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole is 393.13 g/mol.
Where can I buy 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole?
You can request a quote for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-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-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-dimethyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.