2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
TL;DR: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole (CAS 5920-59-2) is a chemical compound with molecular formula C19H17N5O3S and molecular weight 395.11 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-6-methoxy-1H-benzimidazole
Also Known As: CBKinase1_001093, CBKinase1_013493, BAS 01257013, BRD-K49917118-001-01-0, 6-methoxy-2-[2-methyl-4-nitro-1-benzylimidazol-5-ylthio]benzimidazole
| Molecular Formula | C19H17N5O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 4.18412 |
| Topological Polar Surface Area | 98.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.10522 |
| Heavy Atoms | 28 |
| Complexity | 1153.3081 |
Chemical Identifiers
| CAS Number | 5920-59-2 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)OC)[N+](=O)[O-] |
Product Overview
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole (CAS 5920-59-2), with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol. IUPAC: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole.
Chemical Property Profile of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
Property Insights of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
The XLogP value of 4.18412 indicates that 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole has 1 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 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The CAS number of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is 5920-59-2.
What is the molecular formula of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The molecular formula of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is C19H17N5O3S.
What is the molecular weight of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
The molecular weight of 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole is 395.11 g/mol.
Where can I buy 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole?
You can request a quote for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-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-6-methoxy-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.