(E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 499209-73-3) is a chemical compound with molecular formula C25H20N4O2S and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thi ol, 4-(anthracen-9-ylmethylideneamino)-5-(3,4-dimethoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-{[(E)-9-anthrylmethylidene]amino}-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C25H20N4O2S |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 5.81349 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1307 |
| Heavy Atoms | 32 |
| Complexity | 1480.6036 |
Chemical Identifiers
| CAS Number | 499209-73-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)OC |
Product Overview
(E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 499209-73-3), with molecular formula C25H20N4O2S and molecular weight 440.13 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.81349 indicates that (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 499209-73-3.
What is the molecular formula of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C25H20N4O2S.
What is the molecular weight of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 440.13 g/mol.
Where can I buy (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-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 (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.