2F-401S
TL;DR: 2F-401S (CAS 321533-82-8) is a chemical compound with molecular formula C18H12Cl2F3N3OS and molecular weight 445.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 2F-401S, N-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide, N-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C18H12Cl2F3N3OS |
|---|---|
| Molecular Weight | 445.00 g/mol |
| LogP | 6.1492 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.00302 |
| Heavy Atoms | 28 |
| Complexity | 1002.6556 |
Chemical Identifiers
| CAS Number | 321533-82-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Cl |
Product Overview
2F-401S (CAS 321533-82-8), with molecular formula C18H12Cl2F3N3OS and molecular weight 445.00 g/mol. IUPAC: N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 2F-401S
Property Insights of 2F-401S
The XLogP value of 6.1492 indicates that 2F-401S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 2F-401S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2F-401S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2F-401S?
The CAS number of 2F-401S is 321533-82-8.
What is the molecular formula of 2F-401S?
The molecular formula of 2F-401S is C18H12Cl2F3N3OS.
What is the molecular weight of 2F-401S?
The molecular weight of 2F-401S is 445.00 g/mol.
Where can I buy 2F-401S?
You can request a quote for 2F-401S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2F-401S?
Yes, KEHONG BIO provides custom synthesis services for 2F-401S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.