![3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/3312/331269-06-8.webp)
3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 331269-06-8) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-((3,4-DIMETHOXYPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE, 5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2H-1,2,4-triazole-3-thione, 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazoline-5-thione
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.53789 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 855.7751 |
Chemical Identifiers
| CAS Number | 331269-06-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC=CC=C3)OC |
Product Overview
3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 331269-06-8), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.53789 indicates that 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 331269-06-8.
What is the molecular formula of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is C17H17N3O2S.
What is the molecular weight of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 327.10 g/mol.
Where can I buy 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.