5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 392237-40-0) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, AB00095303-01, 3-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-(3,4-dimethoxyphenyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-(2-furylmethyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.26619 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 820.9278 |
Chemical Identifiers
| CAS Number | 392237-40-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3)OC |
Product Overview
5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 392237-40-0), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.26619 indicates that 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 392237-40-0.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is C15H15N3O3S.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 317.08 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-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-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.