6K-321S
TL;DR: 6K-321S (CAS 318959-19-2) is a chemical compound with molecular formula C18H12BrCl2F3N2OS and molecular weight 509.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)sulfanylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
Also Known As: 6K-321S, 4-{[(4-bromophenyl)sulfanyl]methyl}-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole, 4-[(4-bromophenyl)sulfanylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
| Molecular Formula | C18H12BrCl2F3N2OS |
|---|---|
| Molecular Weight | 509.92 g/mol |
| LogP | 7.5928 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.9183 |
| Heavy Atoms | 28 |
| Complexity | 993.7312 |
Chemical Identifiers
| CAS Number | 318959-19-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CSC2=CC=C(C=C2)Br)OC3=C(C=C(C=C3)Cl)Cl |
Product Overview
6K-321S (CAS 318959-19-2), with molecular formula C18H12BrCl2F3N2OS and molecular weight 509.92 g/mol. IUPAC: 4-[(4-bromophenyl)sulfanylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 6K-321S
Property Insights of 6K-321S
The XLogP value of 7.5928 indicates that 6K-321S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 6K-321S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6K-321S has 0 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 6K-321S?
The CAS number of 6K-321S is 318959-19-2.
What is the molecular formula of 6K-321S?
The molecular formula of 6K-321S is C18H12BrCl2F3N2OS.
What is the molecular weight of 6K-321S?
The molecular weight of 6K-321S is 509.92 g/mol.
Where can I buy 6K-321S?
You can request a quote for 6K-321S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-321S?
Yes, KEHONG BIO provides custom synthesis services for 6K-321S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.