![4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione structure](/static/products/893/893777-51-0.png)
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
TL;DR: 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione (CAS 893777-51-0) is a chemical compound with molecular formula C30H25N3O2S and molecular weight 491.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Also Known As: A4118/0175555, 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione, 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-BENZYL-3-[(2-METHYLPHENOXY)METHYL]-1-(9H-XANTHEN-9-YL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C30H25N3O2S |
|---|---|
| Molecular Weight | 491.17 g/mol |
| LogP | 7.09321 |
| Topological Polar Surface Area | 41.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.16675 |
| Heavy Atoms | 36 |
| Complexity | 1544.1393 |
Chemical Identifiers
| CAS Number | 893777-51-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46 |
Product Overview
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione (CAS 893777-51-0), with molecular formula C30H25N3O2S and molecular weight 491.17 g/mol. IUPAC: 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Property Insights of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
The XLogP value of 7.09321 indicates that 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.21 Ų, 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione has 0 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-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The CAS number of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is 893777-51-0.
What is the molecular formula of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The molecular formula of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is C30H25N3O2S.
What is the molecular weight of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
The molecular weight of 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione is 491.17 g/mol.
Where can I buy 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
You can request a quote for 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-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-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.