6F-339S
TL;DR: 6F-339S (CAS 318517-95-2) is a chemical compound with molecular formula C14H13F3N4O and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 6F-339S, 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 5-[(4-methoxybenzyl)amino]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-{[(4-methoxyphenyl)methyl]amino}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C14H13F3N4O |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.93128 |
| Topological Polar Surface Area | 62.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.10416 |
| Heavy Atoms | 22 |
| Complexity | 698.60364 |
Chemical Identifiers
| CAS Number | 318517-95-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)NCC2=CC=C(C=C2)OC |
Product Overview
6F-339S (CAS 318517-95-2), with molecular formula C14H13F3N4O and molecular weight 310.10 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylamino]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 6F-339S
Property Insights of 6F-339S
The XLogP value of 2.93128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6F-339S. The TPSA of 62.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 6F-339S. Following Lipinski's Rule of Five, 6F-339S has 1 hydrogen bond donor(s) and 4 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-339S?
The CAS number of 6F-339S is 318517-95-2.
What is the molecular formula of 6F-339S?
The molecular formula of 6F-339S is C14H13F3N4O.
What is the molecular weight of 6F-339S?
The molecular weight of 6F-339S is 310.10 g/mol.
Where can I buy 6F-339S?
You can request a quote for 6F-339S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6F-339S?
Yes, KEHONG BIO provides custom synthesis services for 6F-339S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.