![3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole structure](/static/products/902/902741-22-4.png)
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
TL;DR: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole (CAS 902741-22-4) is a chemical compound with molecular formula C13H15ClFN3S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
Also Known As: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole, 2-CHLORO-6-FLUOROBENZYL (4-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-3-YL) SULFIDE, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole, 5-[(6-chloro-2-fluorophenyl)methylthio]-3-methyl-4-(methylethyl)-1,2,4-triazol e
| Molecular Formula | C13H15ClFN3S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.25222 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.06592 |
| Heavy Atoms | 19 |
| Complexity | 563.01245 |
Chemical Identifiers
| CAS Number | 902741-22-4 |
|---|---|
| SMILES | CC1=NN=C(N1C(C)C)SCC2=C(C=CC=C2Cl)F |
Product Overview
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole (CAS 902741-22-4), with molecular formula C13H15ClFN3S and molecular weight 299.07 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
Property Insights of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
The XLogP value of 4.25222 indicates that 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole 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-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole?
The CAS number of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole is 902741-22-4.
What is the molecular formula of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole?
The molecular formula of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole is C13H15ClFN3S.
What is the molecular weight of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole?
The molecular weight of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole is 299.07 g/mol.
Where can I buy 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole?
You can request a quote for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.