2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
TL;DR: 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (CAS 27552-61-0) is a chemical compound with molecular formula C10H7Cl3N2O and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
Also Known As: 2-(3-methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole, 2-m-tolyl-5-trichloromethyl-[1,3,4]oxadiazole, 1,3,4-Oxadiazole,2-(3-methylphenyl)-5-(trichloromethyl)-
| Molecular Formula | C10H7Cl3N2O |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.9624 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 27552-61-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(O2)C(Cl)(Cl)Cl |
| InChIKey | LIYHUEBDAJJNIY-UHFFFAOYSA-N |
Product Overview
2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (CAS 27552-61-0), with molecular formula C10H7Cl3N2O and molecular weight 275.96 g/mol. IUPAC: 2-(3-methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
Property Insights of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
The XLogP value of 3.4 indicates that 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.9 Ų, 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-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 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The CAS number of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is 27552-61-0.
What is the molecular formula of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The molecular formula of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is C10H7Cl3N2O.
What is the molecular weight of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The molecular weight of 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is 275.96 g/mol.
Where can I buy 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
You can request a quote for 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.