![4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide structure](/static/products/5887/5887-40-1.webp)
4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide
TL;DR: 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide (CAS 5887-40-1) is a chemical compound with molecular formula C24H29ClN4OS and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylbutanamide
Also Known As: 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide, 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-butanamide, 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylbutanamide
| Molecular Formula | C24H29ClN4OS |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 6.1565 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 456.17505 |
| Heavy Atoms | 31 |
| Complexity | 961.22296 |
Chemical Identifiers
| CAS Number | 5887-40-1 |
|---|---|
| SMILES | CCCCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl |
Product Overview
4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide (CAS 5887-40-1), with molecular formula C24H29ClN4OS and molecular weight 456.18 g/mol. IUPAC: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylbutanamide.
Chemical Property Profile of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide
Property Insights of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide
The XLogP value of 6.1565 indicates that 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide has 1 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-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide?
The CAS number of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide is 5887-40-1.
What is the molecular formula of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide?
The molecular formula of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide is C24H29ClN4OS.
What is the molecular weight of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide?
The molecular weight of 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide is 456.18 g/mol.
Where can I buy 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide?
You can request a quote for 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hexylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.