![3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine structure](/static/products/3219/321998-12-3.webp)
3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine
TL;DR: 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine (CAS 321998-12-3) is a chemical compound with molecular formula C21H13ClF3N3S and molecular weight 431.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
Also Known As: 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine, 3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine, 10J-010
| Molecular Formula | C21H13ClF3N3S |
|---|---|
| Molecular Weight | 431.05 g/mol |
| LogP | 6.7577 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.0471 |
| Heavy Atoms | 29 |
| Complexity | 1126.1289 |
Chemical Identifiers
| CAS Number | 321998-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CC=NN3C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine (CAS 321998-12-3), with molecular formula C21H13ClF3N3S and molecular weight 431.05 g/mol. IUPAC: 3-chloro-2-[5-(4-phenylsulfanylphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine
Property Insights of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine
The XLogP value of 6.7577 indicates that 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine 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 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine?
The CAS number of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine is 321998-12-3.
What is the molecular formula of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine?
The molecular formula of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine is C21H13ClF3N3S.
What is the molecular weight of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine?
The molecular weight of 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine is 431.05 g/mol.
Where can I buy 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine?
You can request a quote for 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-2-{5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl}-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.