3F-333S
TL;DR: 3F-333S (CAS 158712-45-9) is a chemical compound with molecular formula C19H15ClF3N3O2S and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 3F-333S, 5-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C19H15ClF3N3O2S |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 5.5044 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.05255 |
| Heavy Atoms | 29 |
| Complexity | 1018.9189 |
Chemical Identifiers
| CAS Number | 158712-45-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl |
Product Overview
3F-333S (CAS 158712-45-9), with molecular formula C19H15ClF3N3O2S and molecular weight 441.05 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 3F-333S
Property Insights of 3F-333S
The XLogP value of 5.5044 indicates that 3F-333S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 3F-333S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3F-333S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3F-333S?
The CAS number of 3F-333S is 158712-45-9.
What is the molecular formula of 3F-333S?
The molecular formula of 3F-333S is C19H15ClF3N3O2S.
What is the molecular weight of 3F-333S?
The molecular weight of 3F-333S is 441.05 g/mol.
Where can I buy 3F-333S?
You can request a quote for 3F-333S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3F-333S?
Yes, KEHONG BIO provides custom synthesis services for 3F-333S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.