5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole (CAS 869709-84-2) is a chemical compound with molecular formula C7H5ClN2OS and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
Also Known As: 5-(chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole, 5-(chloromethyl)-3-thien-3-yl-1,2,4-oxadiazole, 5-(chloromethyl)-3-(thiophen-3-yl)-1,2,4-oxadiazole, 5-(chloromethyl)-3-thiophen-3-yl-1,2,4-oxadiazole, 5-(1-Chloro-2-methylpropan-2-yl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
| Molecular Formula | C7H5ClN2OS |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.5369 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.98111 |
| Heavy Atoms | 12 |
| Complexity | 357.12988 |
Chemical Identifiers
| CAS Number | 869709-84-2 |
|---|---|
| SMILES | C1=CSC=C1C2=NOC(=N2)CCl |
Product Overview
5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole (CAS 869709-84-2), with molecular formula C7H5ClN2OS and molecular weight 199.98 g/mol. IUPAC: 5-(chloromethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole
The XLogP value of 2.5369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(3-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 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole is 869709-84-2.
What is the molecular formula of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole is C7H5ClN2OS.
What is the molecular weight of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole is 199.98 g/mol.
Where can I buy 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(3-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 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(3-thienyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.