![1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole structure](/static/products/4967/496776-63-7.webp)
1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole
TL;DR: 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole (CAS 496776-63-7) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone
Also Known As: 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole, [4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone, 1-[4-(azepane-1-sulfonyl)benzoyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole, (4-(azepan-1-ylsulfonyl)phenyl)(2-(ethylthio)-1H-benzo[d]imidazol-1-yl)methanone, 4-(azaperhydroepinylsulfonyl)phenyl 2-ethylthiobenzimidazolyl ketone
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.4015 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1146.0894 |
Chemical Identifiers
| CAS Number | 496776-63-7 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole (CAS 496776-63-7), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: [4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone.
Chemical Property Profile of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole
Property Insights of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole
The XLogP value of 4.4015 indicates that 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole. Following Lipinski's Rule of Five, 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole has 0 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 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole?
The CAS number of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole is 496776-63-7.
What is the molecular formula of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole?
The molecular formula of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole is C22H25N3O3S2.
What is the molecular weight of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole?
The molecular weight of 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole is 443.13 g/mol.
Where can I buy 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole?
You can request a quote for 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1-azepanylsulfonyl)benzoyl]-2-(ethylthio)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.