![4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole structure](/static/products/959/959581-76-1.png)
4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole
TL;DR: 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole (CAS 959581-76-1) is a chemical compound with molecular formula C30H37N5S and molecular weight 499.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-[3-tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-cyclohexyl-1,2,4-triazole
Also Known As: 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole, 3-benzylsulfanyl-5-[5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-cyclohexyl-1,2,4-triazole
| Molecular Formula | C30H37N5S |
|---|---|
| Molecular Weight | 499.28 g/mol |
| LogP | 7.59332 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.27698 |
| Heavy Atoms | 36 |
| Complexity | 1292.628 |
Chemical Identifiers
| CAS Number | 959581-76-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NN=C(N3C4CCCCC4)SCC5=CC=CC=C5 |
Product Overview
4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole (CAS 959581-76-1), with molecular formula C30H37N5S and molecular weight 499.28 g/mol. IUPAC: 3-benzylsulfanyl-5-[3-tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-cyclohexyl-1,2,4-triazole.
Chemical Property Profile of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole
Property Insights of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole
The XLogP value of 7.59332 indicates that 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole 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 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole?
The CAS number of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole is 959581-76-1.
What is the molecular formula of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole?
The molecular formula of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole is C30H37N5S.
What is the molecular weight of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole?
The molecular weight of 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole is 499.28 g/mol.
Where can I buy 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole?
You can request a quote for 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyl-3-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-5-[(phenylmethyl)thio]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.