RefChem:528724
TL;DR: RefChem:528724 (CAS 538337-72-3) is a chemical compound with molecular formula C20H23N3OS and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-Butyl-phenoxymethyl)-4-m-tolyl-4H-[1,2,4]triazole-3-thiol, 5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, F1252-1267, 5-((4-(tert-butyl)phenoxy)methyl)-4-(m-tolyl)-4H-1,2,4-triazole-3-thiol, 3-((4-(tert-Butyl)phenoxy)methyl)-4-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C20H23N3OS |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 5.11481 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.1562 |
| Heavy Atoms | 25 |
| Complexity | 917.1046 |
Chemical Identifiers
| CAS Number | 538337-72-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C |
Product Overview
RefChem:528724 (CAS 538337-72-3), with molecular formula C20H23N3OS and molecular weight 353.16 g/mol. IUPAC: 3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:528724
Property Insights of RefChem:528724
The XLogP value of 5.11481 indicates that RefChem:528724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, RefChem:528724 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:528724 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:528724?
The CAS number of RefChem:528724 is 538337-72-3.
What is the molecular formula of RefChem:528724?
The molecular formula of RefChem:528724 is C20H23N3OS.
What is the molecular weight of RefChem:528724?
The molecular weight of RefChem:528724 is 353.16 g/mol.
Where can I buy RefChem:528724?
You can request a quote for RefChem:528724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:528724?
Yes, KEHONG BIO provides custom synthesis services for RefChem:528724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.