2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide
TL;DR: 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide (CAS 391950-97-3) is a chemical compound with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide, F0508-3155, 2-(4-chlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]acetamide, 2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
| Molecular Formula | C27H24ClN5O3S |
|---|---|
| Molecular Weight | 533.13 g/mol |
| LogP | 4.2973 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.12885 |
| Heavy Atoms | 37 |
| Complexity | 1394.9392 |
Chemical Identifiers
| CAS Number | 391950-97-3 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)COC5=CC=C(C=C5)Cl |
Product Overview
2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide (CAS 391950-97-3), with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.
Chemical Property Profile of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide
Property Insights of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide
The XLogP value of 4.2973 indicates that 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide. Following Lipinski's Rule of Five, 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide?
The CAS number of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide is 391950-97-3.
What is the molecular formula of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide?
The molecular formula of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide is C27H24ClN5O3S.
What is the molecular weight of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide?
The molecular weight of 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide is 533.13 g/mol.
Where can I buy 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide?
You can request a quote for 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenoxy)-N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.