C16H14ClFN4OS
TL;DR: C16H14ClFN4OS (CAS 678181-79-8) is a chemical compound with molecular formula C16H14ClFN4OS and molecular weight 364.06 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-(2-methoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(2-methoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-((2-chloro-6-fluorobenzyl)thio)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine, 5-[(6-chloro-2-fluorophenyl)methylthio]-3-(2-methoxyphenyl)-1,2,4-triazole-4-y lamine
| Molecular Formula | C16H14ClFN4OS |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.7523 |
| Topological Polar Surface Area | 65.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0561 |
| Heavy Atoms | 24 |
| Complexity | 850.7838 |
Chemical Identifiers
| CAS Number | 678181-79-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F |
Product Overview
C16H14ClFN4OS (CAS 678181-79-8), with molecular formula C16H14ClFN4OS and molecular weight 364.06 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of C16H14ClFN4OS
Property Insights of C16H14ClFN4OS
The XLogP value of 3.7523 indicates that C16H14ClFN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H14ClFN4OS. Following Lipinski's Rule of Five, C16H14ClFN4OS has 1 hydrogen bond donor(s) and 5 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 C16H14ClFN4OS?
The CAS number of C16H14ClFN4OS is 678181-79-8.
What is the molecular formula of C16H14ClFN4OS?
The molecular formula of C16H14ClFN4OS is C16H14ClFN4OS.
What is the molecular weight of C16H14ClFN4OS?
The molecular weight of C16H14ClFN4OS is 364.06 g/mol.
Where can I buy C16H14ClFN4OS?
You can request a quote for C16H14ClFN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H14ClFN4OS?
Yes, KEHONG BIO provides custom synthesis services for C16H14ClFN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.