5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
TL;DR: 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole (CAS 175205-41-1) is a chemical compound with molecular formula C7H11ClN2O and molecular weight 174.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
Also Known As: 5-(Tert-Butyl)-3-(Chloromethyl)-1,2,4-Oxadiazole, 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole, N-Methyl-o-phenylenediamine dihydrochloride, 3-(chloromethyl)-5-t-butyl-1,2,4-oxadiazole, 3-chloromethyl-5-tert-butyl-1,2,4-oxadiazole
| Molecular Formula | C7H11ClN2O |
|---|---|
| Molecular Weight | 174.06 g/mol |
| LogP | 2.1059 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.05598 |
| Heavy Atoms | 11 |
| Complexity | 238.83377 |
Chemical Identifiers
| CAS Number | 175205-41-1 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=NO1)CCl |
Product Overview
5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole (CAS 175205-41-1), with molecular formula C7H11ClN2O and molecular weight 174.06 g/mol. IUPAC: 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
Property Insights of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole
The XLogP value of 2.1059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 3 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-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole?
The CAS number of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole is 175205-41-1.
What is the molecular formula of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole?
The molecular formula of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole is C7H11ClN2O.
What is the molecular weight of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole?
The molecular weight of 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole is 174.06 g/mol.
Where can I buy 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole?
You can request a quote for 5-Tert-butyl-3-(chloromethyl)-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-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.