3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole
TL;DR: 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole (CAS 489455-67-6) is a chemical compound with molecular formula C13H8Cl2N2OS and molecular weight 309.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
Also Known As: 3-(2,4-dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole, 3-[(2,4-dichlorophenyl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole, 3-(2,4-dichlorobenzyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
| Molecular Formula | C13H8Cl2N2OS |
|---|---|
| Molecular Weight | 309.97 g/mol |
| LogP | 4.6957 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.97345 |
| Heavy Atoms | 19 |
| Complexity | 694.4985 |
Chemical Identifiers
| CAS Number | 489455-67-6 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=NO2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole (CAS 489455-67-6), with molecular formula C13H8Cl2N2OS and molecular weight 309.97 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
Chemical Property Profile of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole
Property Insights of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole
The XLogP value of 4.6957 indicates that 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole has 0 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 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole?
The CAS number of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole is 489455-67-6.
What is the molecular formula of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole?
The molecular formula of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole is C13H8Cl2N2OS.
What is the molecular weight of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole?
The molecular weight of 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole is 309.97 g/mol.
Where can I buy 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole?
You can request a quote for 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorobenzyl)-5-(2-thienyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.