2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole
TL;DR: 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole (CAS 666210-52-2) is a chemical compound with molecular formula C21H15BrN2OS and molecular weight 422.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylsulfanylbenzimidazol-1-yl)-(2-bromophenyl)methanone
Also Known As: AN-465/41995312, 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole, (2-benzylsulfanylbenzimidazol-1-yl)-(2-bromophenyl)methanone, benzyl 1-(2-bromobenzoyl)-1H-benzimidazol-2-yl sulfide, (2-(benzylthio)-1H-benzo[d]imidazol-1-yl)(2-bromophenyl)methanone
| Molecular Formula | C21H15BrN2OS |
|---|---|
| Molecular Weight | 422.01 g/mol |
| LogP | 5.7796 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.00885 |
| Heavy Atoms | 26 |
| Complexity | 1075.776 |
Chemical Identifiers
| CAS Number | 666210-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4Br |
Product Overview
2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole (CAS 666210-52-2), with molecular formula C21H15BrN2OS and molecular weight 422.01 g/mol. IUPAC: (2-benzylsulfanylbenzimidazol-1-yl)-(2-bromophenyl)methanone.
Chemical Property Profile of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole
Property Insights of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole
The XLogP value of 5.7796 indicates that 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole?
The CAS number of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole is 666210-52-2.
What is the molecular formula of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole?
The molecular formula of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole is C21H15BrN2OS.
What is the molecular weight of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole?
The molecular weight of 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole is 422.01 g/mol.
Where can I buy 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole?
You can request a quote for 2-(benzylthio)-1-(2-bromobenzoyl)-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-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-1-(2-bromobenzoyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.