1-Methylbenzimidazole 3-oxide
TL;DR: 1-Methylbenzimidazole 3-oxide (CAS 3878-70-4) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-oxidobenzimidazol-3-ium
Also Known As: 1-methylbenzimidazole 3-oxide, 1-methyl-3-oxido-benzoimidazole, 1-methyl-3-oxidobenzimidazol-3-ium, 1H-Benzimidazole,1-methyl-,3-oxide, 1H-Benzimidazole,1-methyl-,3-oxide(9CI)
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 0.8117 |
| Topological Polar Surface Area | 31.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 355.89142 |
Chemical Identifiers
| CAS Number | 3878-70-4 |
|---|---|
| SMILES | CN1C=[N+](C2=CC=CC=C21)[O-] |
Product Overview
1-Methylbenzimidazole 3-oxide (CAS 3878-70-4), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 1-methyl-3-oxidobenzimidazol-3-ium.
Chemical Property Profile of 1-Methylbenzimidazole 3-oxide
Property Insights of 1-Methylbenzimidazole 3-oxide
The XLogP value of 0.8117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylbenzimidazole 3-oxide. With a topological polar surface area (TPSA) of 31.87 Ų, 1-Methylbenzimidazole 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbenzimidazole 3-oxide has 0 hydrogen bond donor(s) and 1 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 1-Methylbenzimidazole 3-oxide?
The CAS number of 1-Methylbenzimidazole 3-oxide is 3878-70-4.
What is the molecular formula of 1-Methylbenzimidazole 3-oxide?
The molecular formula of 1-Methylbenzimidazole 3-oxide is C8H8N2O.
What is the molecular weight of 1-Methylbenzimidazole 3-oxide?
The molecular weight of 1-Methylbenzimidazole 3-oxide is 148.06 g/mol.
Where can I buy 1-Methylbenzimidazole 3-oxide?
You can request a quote for 1-Methylbenzimidazole 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbenzimidazole 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbenzimidazole 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.