3K-642S
TL;DR: 3K-642S (CAS 956949-82-9) is a chemical compound with molecular formula C17H10ClF5N2S and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]-3-phenylpyrazole
Also Known As: 3K-642S, (5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 2,3,4,5,6-pentafluorophenyl sulfide, 5-chloro-1-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]-3-phenylpyrazole, 5-chloro-1-methyl-4-{[(2,3,4,5,6-pentafluorophenyl)sulfanyl]methyl}-3-phenyl-1H-pyrazole, 1H-Pyrazole, 5-chloro-1-methyl-4-[[(2,3,4,5,6-pentafluorophenyl)thio]methyl]-3-phenyl-
| Molecular Formula | C17H10ClF5N2S |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 5.7283 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.01733 |
| Heavy Atoms | 26 |
| Complexity | 946.26996 |
Chemical Identifiers
| CAS Number | 956949-82-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=C(C(=C(C(=C3F)F)F)F)F)Cl |
Product Overview
3K-642S (CAS 956949-82-9), with molecular formula C17H10ClF5N2S and molecular weight 404.02 g/mol. IUPAC: 5-chloro-1-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]-3-phenylpyrazole.
Chemical Property Profile of 3K-642S
Property Insights of 3K-642S
The XLogP value of 5.7283 indicates that 3K-642S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 3K-642S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3K-642S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3K-642S?
The CAS number of 3K-642S is 956949-82-9.
What is the molecular formula of 3K-642S?
The molecular formula of 3K-642S is C17H10ClF5N2S.
What is the molecular weight of 3K-642S?
The molecular weight of 3K-642S is 404.02 g/mol.
Where can I buy 3K-642S?
You can request a quote for 3K-642S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-642S?
Yes, KEHONG BIO provides custom synthesis services for 3K-642S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.