![4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol structure](/static/products/613/613250-63-8.png)
4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol
TL;DR: 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol (CAS 613250-63-8) is a chemical compound with molecular formula C25H21N5S and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol, (E)-4-((anthracen-9-ylmethylene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C25H21N5S |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 5.86229 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.15176 |
| Heavy Atoms | 31 |
| Complexity | 1421.9076 |
Chemical Identifiers
| CAS Number | 613250-63-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53 |
Product Overview
4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol (CAS 613250-63-8), with molecular formula C25H21N5S and molecular weight 423.15 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol
Property Insights of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol
The XLogP value of 5.86229 indicates that 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-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-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol?
The CAS number of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol is 613250-63-8.
What is the molecular formula of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol?
The molecular formula of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol is C25H21N5S.
What is the molecular weight of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol?
The molecular weight of 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol is 423.15 g/mol.
Where can I buy 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol?
You can request a quote for 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-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-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-[4-(dimethylamino)phenyl]-1,2,4-triazole-3 -thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.