RefChem:508664
TL;DR: RefChem:508664 (CAS 397275-07-9) is a chemical compound with molecular formula C10H5Cl2F3N4S and molecular weight 339.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(2,6-dichlorophenyl)methylideneamino]-5-(trifluoromethyl)-2H-1,2,4-triazole-3-thione, 4-(((E)-(2,6-Dichlorophenyl)methylidene)amino)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 645-168-1, RefChem:508664
| Molecular Formula | C10H5Cl2F3N4S |
|---|---|
| Molecular Weight | 339.96 g/mol |
| LogP | 4.14849 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.95642 |
| Heavy Atoms | 20 |
| Complexity | 699.77325 |
Chemical Identifiers
| CAS Number | 397275-07-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=N/N2C(=NNC2=S)C(F)(F)F)Cl |
Product Overview
RefChem:508664 (CAS 397275-07-9), with molecular formula C10H5Cl2F3N4S and molecular weight 339.96 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508664
Property Insights of RefChem:508664
The XLogP value of 4.14849 indicates that RefChem:508664 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:508664 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:508664 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:508664?
The CAS number of RefChem:508664 is 397275-07-9.
What is the molecular formula of RefChem:508664?
The molecular formula of RefChem:508664 is C10H5Cl2F3N4S.
What is the molecular weight of RefChem:508664?
The molecular weight of RefChem:508664 is 339.96 g/mol.
Where can I buy RefChem:508664?
You can request a quote for RefChem:508664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508664?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.