3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole
TL;DR: 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole (CAS 801-28-5) is a chemical compound with molecular formula C8HF14N3 and molecular weight 404.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole
Also Known As: 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole, 3,5-Bis(heptafluoropropyl)-4H-1,2,4-triazole, 3,5-bis(heptafluoropropyl)-1,2,4-triazole, J3.439.675B, 3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole
| Molecular Formula | C8HF14N3 |
|---|---|
| Molecular Weight | 404.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.9947 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 801-28-5 |
|---|---|
| SMILES | C1(=NC(=NN1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | FPVIHTFALYNIKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole (CAS 801-28-5), with molecular formula C8HF14N3 and molecular weight 404.99 g/mol. IUPAC: 3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole
Property Insights of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole
The XLogP value of 4.5 indicates that 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole?
The CAS number of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole is 801-28-5.
What is the molecular formula of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole?
The molecular formula of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole is C8HF14N3.
What is the molecular weight of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole?
The molecular weight of 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole is 404.99 g/mol.
Where can I buy 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole?
You can request a quote for 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.