4F-416S
TL;DR: 4F-416S (CAS 318239-38-2) is a chemical compound with molecular formula C12H7ClF3N3S and molecular weight 317.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 4F-416S, 5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C12H7ClF3N3S |
|---|---|
| Molecular Weight | 317.00 g/mol |
| LogP | 4.11518 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.00012 |
| Heavy Atoms | 20 |
| Complexity | 670.9816 |
Chemical Identifiers
| CAS Number | 318239-38-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=C(C=C2)Cl |
Product Overview
4F-416S (CAS 318239-38-2), with molecular formula C12H7ClF3N3S and molecular weight 317.00 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 4F-416S
Property Insights of 4F-416S
The XLogP value of 4.11518 indicates that 4F-416S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, 4F-416S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4F-416S 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 4F-416S?
The CAS number of 4F-416S is 318239-38-2.
What is the molecular formula of 4F-416S?
The molecular formula of 4F-416S is C12H7ClF3N3S.
What is the molecular weight of 4F-416S?
The molecular weight of 4F-416S is 317.00 g/mol.
Where can I buy 4F-416S?
You can request a quote for 4F-416S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4F-416S?
Yes, KEHONG BIO provides custom synthesis services for 4F-416S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.