4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 526192-76-7) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-[(furan-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(2-furylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 526192-76-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC=CO3 |
| InChIKey | IUYCOGXIVXFWSN-UHFFFAOYSA-N |
Product Overview
4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 526192-76-7), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 526192-76-7.
What is the molecular formula of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C16H17N3O4S.
What is the molecular weight of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 347.09 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.