4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 537017-47-3) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol, AB00685771-01, 4-(furan-2-ylmethyl)-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, F1219-1679, 4-[(furan-2-yl)methyl]-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.46941 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 774.3251 |
Chemical Identifiers
| CAS Number | 537017-47-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NNC(=S)N2CC3=CC=CO3 |
Product Overview
4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 537017-47-3), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.46941 indicates that 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-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 55.98 Ų, 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol 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 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 537017-47-3.
What is the molecular formula of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol is C15H15N3O2S.
What is the molecular weight of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 301.09 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-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 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-5-(3-methylphenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.