![1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one structure](/static/products/861/861685-53-2.png)
1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one
TL;DR: 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one (CAS 861685-53-2) is a chemical compound with molecular formula C34H47N5O2S and molecular weight 589.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one
Also Known As: 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one
| Molecular Formula | C34H47N5O2S |
|---|---|
| Molecular Weight | 589.35 g/mol |
| LogP | 7.31502 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 589.34503 |
| Heavy Atoms | 42 |
| Complexity | 1277.9465 |
Chemical Identifiers
| CAS Number | 861685-53-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC(=C3)C)C4=CC=CC=C4 |
Product Overview
1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one (CAS 861685-53-2), with molecular formula C34H47N5O2S and molecular weight 589.35 g/mol. IUPAC: 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one.
Chemical Property Profile of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one
Property Insights of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one
The XLogP value of 7.31502 indicates that 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one. Following Lipinski's Rule of Five, 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one?
The CAS number of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one is 861685-53-2.
What is the molecular formula of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one?
The molecular formula of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one is C34H47N5O2S.
What is the molecular weight of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one?
The molecular weight of 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one is 589.35 g/mol.
Where can I buy 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one?
You can request a quote for 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-methyl-4-[4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]decan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.