RefChem:508680
TL;DR: RefChem:508680 (CAS 466658-26-4) is a chemical compound with molecular formula C13H13F3N4S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(4-isopropylphenyl)methylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(((E)-(4-ISOPROPYLPHENYL)METHYLIDENE)AMINO)-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, 644-695-4, RefChem:508680
| Molecular Formula | C13H13F3N4S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 3.96509 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0813 |
| Heavy Atoms | 21 |
| Complexity | 695.44183 |
Chemical Identifiers
| CAS Number | 466658-26-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
RefChem:508680 (CAS 466658-26-4), with molecular formula C13H13F3N4S and molecular weight 314.08 g/mol. IUPAC: 4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508680
Property Insights of RefChem:508680
The XLogP value of 3.96509 indicates that RefChem:508680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, RefChem:508680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:508680 has 1 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 RefChem:508680?
The CAS number of RefChem:508680 is 466658-26-4.
What is the molecular formula of RefChem:508680?
The molecular formula of RefChem:508680 is C13H13F3N4S.
What is the molecular weight of RefChem:508680?
The molecular weight of RefChem:508680 is 314.08 g/mol.
Where can I buy RefChem:508680?
You can request a quote for RefChem:508680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.