2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
TL;DR: 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CAS 700848-97-1) is a chemical compound with molecular formula C14H15F3N4S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
Also Known As: 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole, 1-benzyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
| Molecular Formula | C14H15F3N4S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.09695 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 700848-97-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NN=C(S3)C(F)(F)F |
| InChIKey | IOXXBZCMFCUMRW-UHFFFAOYSA-N |
Product Overview
2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CAS 700848-97-1), with molecular formula C14H15F3N4S and molecular weight 328.10 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
Property Insights of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
The XLogP value of 3.0 indicates that 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 8 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-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The CAS number of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is 700848-97-1.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is C14H15F3N4S.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is 328.10 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.