![2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole structure](/static/products/876/876678-07-8.png)
2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole
TL;DR: 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole (CAS 876678-07-8) is a chemical compound with molecular formula C16H11BrN2O3S and molecular weight 389.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-[(2-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
Also Known As: AB00750476-01, 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-[(2-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole, 2-(2H-1,3-benzodioxol-5-yl)-5-{[(2-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
| Molecular Formula | C16H11BrN2O3S |
|---|---|
| Molecular Weight | 389.97 g/mol |
| LogP | 4.5201 |
| Topological Polar Surface Area | 57.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.96738 |
| Heavy Atoms | 23 |
| Complexity | 852.8467 |
Chemical Identifiers
| CAS Number | 876678-07-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4Br |
Product Overview
2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole (CAS 876678-07-8), with molecular formula C16H11BrN2O3S and molecular weight 389.97 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole
Property Insights of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole
The XLogP value of 4.5201 indicates that 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-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-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-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-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole is 876678-07-8.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole is C16H11BrN2O3S.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole is 389.97 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-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-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-5-[[(2-bromophenyl)methyl]thio]-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.