![2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine structure](/static/products/6552/655235-58-8.webp)
2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
TL;DR: 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 655235-58-8) is a chemical compound with molecular formula C13H15F3IN3S and molecular weight 429.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-7-ethylsulfanyl-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Also Known As: 2-(tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 2-tert-butyl-7-ethylsulfanyl-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 2-tert-butyl-7-(ethylsulfanyl)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C13H15F3IN3S |
|---|---|
| Molecular Weight | 429.00 g/mol |
| LogP | 4.7622 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.99835 |
| Heavy Atoms | 21 |
| Complexity | 673.822 |
Chemical Identifiers
| CAS Number | 655235-58-8 |
|---|---|
| SMILES | CCSC1=CC(=NC2=C(C(=NN12)C(C)(C)C)I)C(F)(F)F |
Product Overview
2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 655235-58-8), with molecular formula C13H15F3IN3S and molecular weight 429.00 g/mol. IUPAC: 2-tert-butyl-7-ethylsulfanyl-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Property Insights of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
The XLogP value of 4.7622 indicates that 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 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-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The CAS number of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 655235-58-8.
What is the molecular formula of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The molecular formula of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is C13H15F3IN3S.
What is the molecular weight of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The molecular weight of 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 429.00 g/mol.
Where can I buy 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
You can request a quote for 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl)-7-(ethylthio)-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.