4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione
TL;DR: 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione (CAS 496799-30-5) is a chemical compound with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-{[(E)-9-anthrylmethylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((anthracen-9-ylmethylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C26H22N4O3S |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 5.82209 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.14127 |
| Heavy Atoms | 34 |
| Complexity | 1524.3414 |
Chemical Identifiers
| CAS Number | 496799-30-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53 |
Product Overview
4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione (CAS 496799-30-5), with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione
Property Insights of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione
The XLogP value of 5.82209 indicates that 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione?
The CAS number of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione is 496799-30-5.
What is the molecular formula of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione?
The molecular formula of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione is C26H22N4O3S.
What is the molecular weight of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione?
The molecular weight of 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione is 470.14 g/mol.
Where can I buy 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione?
You can request a quote for 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(anthracen-9-ylmethylideneamino)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.