4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613249-52-8) is a chemical compound with molecular formula C25H20N4OS and molecular weight 424.14 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-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((9-ANTHRYLMETHYLENE)AMINO)-5-(3-ETHOXY-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-4-((anthracen-9-ylmethylene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(3-ethoxyphenyl)-1,2,4-triazole-3-thiol, 4-((Anthracen-9-ylmethylene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-(anthracen-9-ylmethylideneamino)-5-(3-ethoxyphenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C25H20N4OS |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 6.19499 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.13577 |
| Heavy Atoms | 31 |
| Complexity | 1428.2192 |
Chemical Identifiers
| CAS Number | 613249-52-8 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53 |
Product Overview
4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613249-52-8), with molecular formula C25H20N4OS and molecular weight 424.14 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 6.19499 indicates that 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide 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-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 613249-52-8.
What is the molecular formula of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is C25H20N4OS.
What is the molecular weight of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide is 424.14 g/mol.
Where can I buy 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((9-Anthrylmethylene)amino)-5-(3-ethoxy-PH)-4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.