11F-441S
TL;DR: 11F-441S (CAS 158712-48-2) is a chemical compound with molecular formula C19H16F3N3OS and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-N-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carboxamide
Also Known As: 11F-441S, 1,3-dimethyl-N-phenyl-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazole-4-carboxamide, 1,3-dimethyl-N-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carboxamide
| Molecular Formula | C19H16F3N3OS |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 5.15082 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.09662 |
| Heavy Atoms | 27 |
| Complexity | 968.07635 |
Chemical Identifiers
| CAS Number | 158712-48-2 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)NC2=CC=CC=C2)SC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
11F-441S (CAS 158712-48-2), with molecular formula C19H16F3N3OS and molecular weight 391.10 g/mol. IUPAC: 1,3-dimethyl-N-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carboxamide.
Chemical Property Profile of 11F-441S
Property Insights of 11F-441S
The XLogP value of 5.15082 indicates that 11F-441S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 11F-441S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11F-441S 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 11F-441S?
The CAS number of 11F-441S is 158712-48-2.
What is the molecular formula of 11F-441S?
The molecular formula of 11F-441S is C19H16F3N3OS.
What is the molecular weight of 11F-441S?
The molecular weight of 11F-441S is 391.10 g/mol.
Where can I buy 11F-441S?
You can request a quote for 11F-441S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11F-441S?
Yes, KEHONG BIO provides custom synthesis services for 11F-441S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.