1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-
TL;DR: 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- (CAS 1208-05-5) is a chemical compound with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole
Also Known As: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole, 3-Phenyl-5-trichloromethyl-1,2,4-oxadiazole, 1,2,4-OXADIAZOLE, 3-PHENYL-5-TRICHLOROMETHYL-, 3-phenyl-5-trichloromethyl-[1,2,4]oxadiazole, 1,2,4-Oxadiazole, 3-phenyl-5-(trichloromethyl)-
| Molecular Formula | C9H5Cl3N2O |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.94675 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1208-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=N2)C(Cl)(Cl)Cl |
| InChIKey | DYLKAZGGQBPFEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- (CAS 1208-05-5), with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol. IUPAC: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-
Property Insights of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-
The XLogP value of 3.6 indicates that 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.9 Ų, 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- 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 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-?
The CAS number of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- is 1208-05-5.
What is the molecular formula of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-?
The molecular formula of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- is C9H5Cl3N2O.
What is the molecular weight of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-?
The molecular weight of 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- is 261.95 g/mol.
Where can I buy 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-?
You can request a quote for 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.