C22H17ClFN3S
TL;DR: C22H17ClFN3S (CAS 848928-13-2) is a chemical compound with molecular formula C22H17ClFN3S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole
Also Known As: 4-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole, 4-(4-chlorophenyl)-3-((3-fluorobenzyl)thio)-5-(m-tolyl)-4H-1,2,4-triazole, 4-(4-chlorophenyl)-3-[(3-fluorobenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole, 4-(4-chlorophenyl)-3-[(3-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-tri azole, 4-(4-chlorophenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4H-1,2,4-triazole
| Molecular Formula | C22H17ClFN3S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 6.32752 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.08157 |
| Heavy Atoms | 28 |
| Complexity | 1108.9823 |
Chemical Identifiers
| CAS Number | 848928-13-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)F |
Product Overview
C22H17ClFN3S (CAS 848928-13-2), with molecular formula C22H17ClFN3S and molecular weight 409.08 g/mol. IUPAC: 4-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of C22H17ClFN3S
Property Insights of C22H17ClFN3S
The XLogP value of 6.32752 indicates that C22H17ClFN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, C22H17ClFN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H17ClFN3S 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 C22H17ClFN3S?
The CAS number of C22H17ClFN3S is 848928-13-2.
What is the molecular formula of C22H17ClFN3S?
The molecular formula of C22H17ClFN3S is C22H17ClFN3S.
What is the molecular weight of C22H17ClFN3S?
The molecular weight of C22H17ClFN3S is 409.08 g/mol.
Where can I buy C22H17ClFN3S?
You can request a quote for C22H17ClFN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17ClFN3S?
Yes, KEHONG BIO provides custom synthesis services for C22H17ClFN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.