4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol (CAS 887205-64-3) is a chemical compound with molecular formula C11H16N4OS and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: F1923-0026, 4-(2-methoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H16N4OS |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.51639 |
| Topological Polar Surface Area | 47.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.10448 |
| Heavy Atoms | 17 |
| Complexity | 539.659 |
Chemical Identifiers
| CAS Number | 887205-64-3 |
|---|---|
| SMILES | CN1C=CC=C1CC2=NNC(=S)N2CCOC |
Product Overview
4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol (CAS 887205-64-3), with molecular formula C11H16N4OS and molecular weight 252.10 g/mol. IUPAC: 4-(2-methoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.51639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 47.77 Ų, 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is 887205-64-3.
What is the molecular formula of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is C11H16N4OS.
What is the molecular weight of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is 252.10 g/mol.
Where can I buy 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-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-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.