2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole
TL;DR: 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole (CAS 108499-48-5) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N-ethylaniline
Also Known As: s3337, S 3337, HY-U00222, 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole, 2-(2-ETHYLAMINOBENZYLSULFINYL)-5,6-DIMETHOXYBENZO[D]IMIDAZOLE
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 108499-48-5 |
|---|---|
| SMILES | CCNC1=CC=CC=C1CS(=O)C2=NC3=CC(=C(C=C3N2)OC)OC |
| InChIKey | YAMSJFSCDATXNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole (CAS 108499-48-5), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N-ethylaniline.
Chemical Property Profile of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole
Property Insights of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole. Following Lipinski's Rule of Five, 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole has 2 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-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole?
The CAS number of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole is 108499-48-5.
What is the molecular formula of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole?
The molecular formula of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole is C18H21N3O3S.
What is the molecular weight of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole?
The molecular weight of 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole is 359.13 g/mol.
Where can I buy 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole?
You can request a quote for 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.