6F-335S
TL;DR: 6F-335S (CAS 477713-59-0) is a chemical compound with molecular formula C16H16F3N3O and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 6F-335S, 5-[4-(tert-butyl)phenoxy]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-(4-tert-butylphenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 5-(4-tert-butylphenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 1-methyl-5-(4-tert-butylphenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C16H16F3N3O |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 4.40038 |
| Topological Polar Surface Area | 50.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.12454 |
| Heavy Atoms | 23 |
| Complexity | 747.0935 |
Chemical Identifiers
| CAS Number | 477713-59-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=NN2C)C(F)(F)F)C#N |
Product Overview
6F-335S (CAS 477713-59-0), with molecular formula C16H16F3N3O and molecular weight 323.12 g/mol. IUPAC: 5-(4-tert-butylphenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 6F-335S
Property Insights of 6F-335S
The XLogP value of 4.40038 indicates that 6F-335S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.84 Ų, 6F-335S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6F-335S 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 6F-335S?
The CAS number of 6F-335S is 477713-59-0.
What is the molecular formula of 6F-335S?
The molecular formula of 6F-335S is C16H16F3N3O.
What is the molecular weight of 6F-335S?
The molecular weight of 6F-335S is 323.12 g/mol.
Where can I buy 6F-335S?
You can request a quote for 6F-335S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6F-335S?
Yes, KEHONG BIO provides custom synthesis services for 6F-335S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.