5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 523990-77-4) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 5.39779 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 1084.9922 |
Chemical Identifiers
| CAS Number | 523990-77-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 523990-77-4), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.39779 indicates that 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol 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 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol is 523990-77-4.
What is the molecular formula of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol is C21H17N3O2S.
What is the molecular weight of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol is 375.10 g/mol.
Where can I buy 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-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 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.