![4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol structure](/static/products/4777/477709-23-2.webp)
4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 477709-23-2) is a chemical compound with molecular formula C16H14N6S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol, 4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione, 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione, 4-Methyl-5-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl-4H-1,2,4-triazole-3-thiol, 4-Methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14N6S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.12109 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.10007 |
| Heavy Atoms | 23 |
| Complexity | 991.0639 |
Chemical Identifiers
| CAS Number | 477709-23-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 |
Product Overview
4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 477709-23-2), with molecular formula C16H14N6S and molecular weight 322.10 g/mol. IUPAC: 4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.12109 indicates that 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-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 56.36 Ų, 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-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-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is 477709-23-2.
What is the molecular formula of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is C16H14N6S.
What is the molecular weight of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is 322.10 g/mol.
Where can I buy 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-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-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.