![hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide structure](/static/products/956/956741-83-6.png)
hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
TL;DR: hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide (CAS 956741-83-6) is a chemical compound with molecular formula C22H26N6S and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole
Also Known As: hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide, 3-hexylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole, 3-(hexylsulfanyl)-4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
| Molecular Formula | C22H26N6S |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 5.1309 |
| Topological Polar Surface Area | 53.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.19397 |
| Heavy Atoms | 29 |
| Complexity | 1032.8993 |
Chemical Identifiers
| CAS Number | 956741-83-6 |
|---|---|
| SMILES | CCCCCCSC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 |
Product Overview
hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide (CAS 956741-83-6), with molecular formula C22H26N6S and molecular weight 406.19 g/mol. IUPAC: 3-hexylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole.
Chemical Property Profile of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
Property Insights of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
The XLogP value of 5.1309 indicates that hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.46 Ų, hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The CAS number of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is 956741-83-6.
What is the molecular formula of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The molecular formula of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is C22H26N6S.
What is the molecular weight of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The molecular weight of hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is 406.19 g/mol.
Where can I buy hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
You can request a quote for hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for hexyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.