![2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole structure](/static/products/321/321973-67-5.png)
2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole
TL;DR: 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole (CAS 321973-67-5) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: BAS 06706740, 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole, 2-(3,4-Dimethoxy-benzylsulfanyl)-1H-benzoimidazole, 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole, 2-((3,4-dimethoxybenzyl)thio)-1H-benzo[d]imidazole
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 321973-67-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3N2)OC |
| InChIKey | RERPZAQPUSQOAI-UHFFFAOYSA-N |
Product Overview
2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole (CAS 321973-67-5), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole
Property Insights of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole
The XLogP value of 3.8 indicates that 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole has 1 hydrogen bond donor(s) and 4 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-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole?
The CAS number of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole is 321973-67-5.
What is the molecular formula of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole?
The molecular formula of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole is C16H16N2O2S.
What is the molecular weight of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole?
The molecular weight of 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole is 300.09 g/mol.
Where can I buy 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole?
You can request a quote for 2-[(3,4-dimethoxybenzyl)sulfanyl]-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-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dimethoxybenzyl)sulfanyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.