![2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole structure](/static/products/852/852696-40-3.png)
2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole
TL;DR: 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole (CAS 852696-40-3) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 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]-5-phenyl-1,3,4-oxadiazole
Also Known As: 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-5-PHENYL-1,3,4-OXADIAZOLE, 2-[(6-chloro(2H-benzo[d]1,3-dioxolen-5-yl))methylthio]-5-phenyl-1,3,4-oxadiazo le, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole, 2-[(6-chlorobenzo[1,3]dioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 4.411 |
| Topological Polar Surface Area | 57.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 838.5967 |
Chemical Identifiers
| CAS Number | 852696-40-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(O3)C4=CC=CC=C4)Cl |
Product Overview
2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole (CAS 852696-40-3), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole
Property Insights of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole
The XLogP value of 4.411 indicates that 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.38 Ų, 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole has 0 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-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole?
The CAS number of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole is 852696-40-3.
What is the molecular formula of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole?
The molecular formula of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole is C16H11ClN2O3S.
What is the molecular weight of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole?
The molecular weight of 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole is 346.02 g/mol.
Where can I buy 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole?
You can request a quote for 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole 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}-5-phenyl-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Chloro-2H-1,3-benzodioxol-5-YL)methyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.