5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)
TL;DR: 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) (CAS 4491-00-3) is a chemical compound with molecular formula C6Cl6N4O2 and molecular weight 369.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trichloromethyl)-3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
Also Known As: C6Cl6N4O2, 5,5'-bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole), 5,5'-bis(trichloromethyl)-3,3'-bi-1,2,4-oxadiazole, 3,3'-Di(1,2,4-oxadiazole), 5,5'-di(trichloromethyl)-, 5-(trichloromethyl)-3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
| Molecular Formula | C6Cl6N4O2 |
|---|---|
| Molecular Weight | 369.82 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.81525 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 4491-00-3 |
|---|---|
| SMILES | C1(=NOC(=N1)C(Cl)(Cl)Cl)C2=NOC(=N2)C(Cl)(Cl)Cl |
| InChIKey | SCANBQYJJWEAEU-UHFFFAOYSA-N |
Product Overview
5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) (CAS 4491-00-3), with molecular formula C6Cl6N4O2 and molecular weight 369.82 g/mol. IUPAC: 5-(trichloromethyl)-3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole.
Chemical Property Profile of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)
Property Insights of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)
The XLogP value of 3.4 indicates that 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole). Following Lipinski's Rule of Five, 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) has 0 hydrogen bond donor(s) and 6 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 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)?
The CAS number of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) is 4491-00-3.
What is the molecular formula of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)?
The molecular formula of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) is C6Cl6N4O2.
What is the molecular weight of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)?
The molecular weight of 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) is 369.82 g/mol.
Where can I buy 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)?
You can request a quote for 5,5'-Bis(trichloromethyl)-3,3'-bi(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 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-Bis(trichloromethyl)-3,3'-bi(1,2,4-oxadiazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.