![2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide structure](/static/products/896/896067-32-6.webp)
2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide
TL;DR: 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide (CAS 896067-32-6) is a chemical compound with molecular formula C26H27ClN4O3S and molecular weight 510.14923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-butan-2-ylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-butan-2-ylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(butan-2-yl)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[4-(butan-2-yl)phenyl]-2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Technical Specifications
| Molecular Formula | C26H27ClN4O3S |
| Molecular Weight | 510.14923 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.14923 Da |
| Heavy Atoms | 35 |
| Complexity | 646.0 |
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl |
| InChIKey | DDDFEXDKDQVINE-UHFFFAOYSA-N |
Chemical Property Profile of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide
Property Insights of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide
The XLogP value of 5.7 indicates that 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide?
The CAS number of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide is 896067-32-6.
What is the molecular formula of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide?
The molecular formula of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide is C26H27ClN4O3S.
What is the molecular weight of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide?
The molecular weight of 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide is 510.14923 g/mol.
Where can I buy 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide?
You can request a quote for 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide?
Yes, CoreyChem provides custom synthesis services for 2-{5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)}-N-[4 -(methylpropyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.