RefChem:281758
TL;DR: RefChem:281758 (CAS 385375-12-2) is a chemical compound with molecular formula C17H14F4N4OS and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: AO-080/41280631, 3-Phenyl-5-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-4H-1,2,4-triazol-4-amine, 3-phenyl-5-{[4-(1,1,2,2-tetrafluoroethoxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine, A2418/0102546, 3-phenyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
| Molecular Formula | C17H14F4N4OS |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.08246 |
| Heavy Atoms | 27 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 385375-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)OC(C(F)F)(F)F |
| InChIKey | OKRKNDUJLHTKOP-UHFFFAOYSA-N |
Product Overview
RefChem:281758 (CAS 385375-12-2), with molecular formula C17H14F4N4OS and molecular weight 398.08 g/mol. IUPAC: 3-phenyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of RefChem:281758
Property Insights of RefChem:281758
The XLogP value of 4.8 indicates that RefChem:281758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:281758. Following Lipinski's Rule of Five, RefChem:281758 has 1 hydrogen bond donor(s) and 9 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 RefChem:281758?
The CAS number of RefChem:281758 is 385375-12-2.
What is the molecular formula of RefChem:281758?
The molecular formula of RefChem:281758 is C17H14F4N4OS.
What is the molecular weight of RefChem:281758?
The molecular weight of RefChem:281758 is 398.08 g/mol.
Where can I buy RefChem:281758?
You can request a quote for RefChem:281758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:281758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:281758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.