![2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole structure](/static/products/3140/314044-41-2.webp)
2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 314044-41-2) is a chemical compound with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-benzimidazole
Also Known As: BAS 04303899, BIM-0042119.P001, 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-1H-1,3-BENZODIAZOLE, 2-(6-Chloro-benzo[1,3]dioxol-5-ylmethylsulfanyl)-1H-benzoimidazole, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-benzimidazole
| Molecular Formula | C15H11ClN2O2S |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.02298 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 314044-41-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=CC=CC=C4N3)Cl |
| InChIKey | LHOOGFSHPOQYRS-UHFFFAOYSA-N |
Product Overview
2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 314044-41-2), with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 4.3 indicates that 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole 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-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole 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-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole?
The CAS number of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole is 314044-41-2.
What is the molecular formula of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole is C15H11ClN2O2S.
What is the molecular weight of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole is 318.02 g/mol.
Where can I buy 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]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 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.