3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole
TL;DR: 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole (CAS 1195-25-1) is a chemical compound with molecular formula C4H3Cl3N2O and molecular weight 199.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole
Also Known As: 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3-methyl-5-(trichloromethyl)-, 3-Methyl-5-trichloromethyl-1,2,4-oxadiazole, 3-methyl-5-trichloromethyl-[1,2,4]oxadiazole, 3-Methyl-5-trichloromethyl-1,2,4oxadiazole
| Molecular Formula | C4H3Cl3N2O |
|---|---|
| Molecular Weight | 199.93 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.93109 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 1195-25-1 |
|---|---|
| SMILES | CC1=NOC(=N1)C(Cl)(Cl)Cl |
| InChIKey | ZHFWJCUKKDMFIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole (CAS 1195-25-1), with molecular formula C4H3Cl3N2O and molecular weight 199.93 g/mol. IUPAC: 3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole
Property Insights of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(trichloromethyl)-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 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole?
The CAS number of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole is 1195-25-1.
What is the molecular formula of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole is C4H3Cl3N2O.
What is the molecular weight of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole is 199.93 g/mol.
Where can I buy 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-Methyl-5-(trichloromethyl)-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-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.