4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL (CAS 613250-68-3) is a chemical compound with molecular formula C17H15ClFN5S and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(6-chloro-2-fluorophenyl)-1-azavinyl]-5-[4-(dimethylamino)phenyl]-1, 2,4-triazole-3-thiol, 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H15ClFN5S |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 4.34839 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.07208 |
| Heavy Atoms | 25 |
| Complexity | 955.1984 |
Chemical Identifiers
| CAS Number | 613250-68-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)F |
Product Overview
4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL (CAS 613250-68-3), with molecular formula C17H15ClFN5S and molecular weight 375.07 g/mol. IUPAC: 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 4.34839 indicates that 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.21 Ų, 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL 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 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL is 613250-68-3.
What is the molecular formula of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL is C17H15ClFN5S.
What is the molecular weight of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL is 375.07 g/mol.
Where can I buy 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-6-F-BENZYLIDENE)AMINO)-5-(4-(DIMETHYLAMINO)PH)4H-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.