![5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole structure](/static/products/3389/338962-39-3.webp)
5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
TL;DR: 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 338962-39-3) is a chemical compound with molecular formula C13H13F3N4OS and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-1,3,4-oxadiazole
Also Known As: 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole, 2-tert-butyl-5-[1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazol-5-yl]-1,3,4-oxadiazole, 2-tert-butyl-5-[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]-1,3,4-oxadiazole
| Molecular Formula | C13H13F3N4OS |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 4.0011 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.0762 |
| Heavy Atoms | 22 |
| Complexity | 837.80896 |
Chemical Identifiers
| CAS Number | 338962-39-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(O1)C2=CC3=C(S2)N(N=C3C(F)(F)F)C |
Product Overview
5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 338962-39-3), with molecular formula C13H13F3N4OS and molecular weight 330.08 g/mol. IUPAC: 2-tert-butyl-5-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-1,3,4-oxadiazole.
Chemical Property Profile of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
Property Insights of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
The XLogP value of 4.0011 indicates that 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole has 0 hydrogen bond donor(s) and 5 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-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole?
The CAS number of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole is 338962-39-3.
What is the molecular formula of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole?
The molecular formula of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole is C13H13F3N4OS.
What is the molecular weight of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole?
The molecular weight of 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole is 330.08 g/mol.
Where can I buy 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole?
You can request a quote for 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.