s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-
TL;DR: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- (CAS 68869-53-4) is a chemical compound with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-, 5-(4-Biphenoxymethyl)-1-(p-ethoxyphenyl)-1H-1,2,4-triazole-2-thiol, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((1,1'-biphenyl-4-yloxy)methyl)-4-(4-ethoxyphenyl)-, 4-(4-ethoxyphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 5-{[([1,1'-Biphenyl]-4-yl)oxy]methyl}-4-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H21N3O2S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 5.57459 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.13544 |
| Heavy Atoms | 29 |
| Complexity | 1117.514 |
Chemical Identifiers
| CAS Number | 68869-53-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- (CAS 68869-53-4), with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol. IUPAC: 4-(4-ethoxyphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-
Property Insights of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-
The XLogP value of 5.57459 indicates that s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- 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 s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-?
The CAS number of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- is 68869-53-4.
What is the molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-?
The molecular formula of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- is C23H21N3O2S.
What is the molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-?
The molecular weight of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- is 403.14 g/mol.
Where can I buy s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-?
You can request a quote for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.