3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole
TL;DR: 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole (CAS 121562-12-7) is a chemical compound with molecular formula C3H2BrClN2O and molecular weight 195.9039 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-(chloromethyl)-1,2,4-oxadiazole
Also Known As: 3-bromo-5-(chloromethyl)-1,2,4-oxadiazole, 3-Bromo-5-chloromethyl-[1,2,4]oxadiazole
Technical Specifications
| Molecular Formula | C3H2BrClN2O |
| Molecular Weight | 195.9039 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.9039 Da |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
| SMILES | C(C1=NC(=NO1)Br)Cl |
| InChIKey | CAISPEWLBGCIAC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole
Property Insights of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-(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
What is the CAS number of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole?
The CAS number of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole is 121562-12-7.
What is the molecular formula of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole is C3H2BrClN2O.
What is the molecular weight of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole is 195.9039 g/mol.
Where can I buy 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-5-(chloromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.