![5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole structure](/static/products/867/867041-79-0.png)
5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
TL;DR: 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole (CAS 867041-79-0) is a chemical compound with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(2-phenoxyethylsulfanyl)-1H-benzimidazole
Also Known As: 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole, 6-chloro-2-(2-phenoxyethylsulfanyl)-1H-benzimidazole, F1627-0297, [2-(5-chlorobenzimidazol-2-ylthio)ethoxy]benzene, 5-chloro-2-[(2-phenoxyethyl)thio]-1H-benzimidazole
| Molecular Formula | C15H13ClN2OS |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 4.3874 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0437 |
| Heavy Atoms | 20 |
| Complexity | 699.4198 |
Chemical Identifiers
| CAS Number | 867041-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCSC2=NC3=C(N2)C=C(C=C3)Cl |
Product Overview
5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole (CAS 867041-79-0), with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol. IUPAC: 6-chloro-2-(2-phenoxyethylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
Property Insights of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
The XLogP value of 4.3874 indicates that 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 3 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 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole?
The CAS number of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole is 867041-79-0.
What is the molecular formula of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole?
The molecular formula of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole is C15H13ClN2OS.
What is the molecular weight of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole?
The molecular weight of 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole is 304.04 g/mol.
Where can I buy 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole?
You can request a quote for 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.