C15H11Cl2FN4S
TL;DR: C15H11Cl2FN4S (CAS 676246-52-9) is a chemical compound with molecular formula C15H11Cl2FN4S and molecular weight 368.01 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-(3-chlorophenyl)-1,2,4-triazol-4-amine
Also Known As: 3-((2-chloro-6-fluorobenzyl)thio)-5-(3-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(3-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine, 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazole-4-yl amine
| Molecular Formula | C15H11Cl2FN4S |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 4.3971 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.00656 |
| Heavy Atoms | 23 |
| Complexity | 832.99335 |
Chemical Identifiers
| CAS Number | 676246-52-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F |
Product Overview
C15H11Cl2FN4S (CAS 676246-52-9), with molecular formula C15H11Cl2FN4S and molecular weight 368.01 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of C15H11Cl2FN4S
Property Insights of C15H11Cl2FN4S
The XLogP value of 4.3971 indicates that C15H11Cl2FN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, C15H11Cl2FN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H11Cl2FN4S has 1 hydrogen bond donor(s) and 4 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 C15H11Cl2FN4S?
The CAS number of C15H11Cl2FN4S is 676246-52-9.
What is the molecular formula of C15H11Cl2FN4S?
The molecular formula of C15H11Cl2FN4S is C15H11Cl2FN4S.
What is the molecular weight of C15H11Cl2FN4S?
The molecular weight of C15H11Cl2FN4S is 368.01 g/mol.
Where can I buy C15H11Cl2FN4S?
You can request a quote for C15H11Cl2FN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H11Cl2FN4S?
Yes, KEHONG BIO provides custom synthesis services for C15H11Cl2FN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.