N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
TL;DR: N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide (CAS 488094-52-6) is a chemical compound with molecular formula C25H21ClN4OS and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Also Known As: N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide, (2E)-N-(3-{5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-3-phenylprop-2-enamide, (E)-N-[3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
| Molecular Formula | C25H21ClN4OS |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 6.0797 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.11246 |
| Heavy Atoms | 32 |
| Complexity | 1253.8038 |
Chemical Identifiers
| CAS Number | 488094-52-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC(=CC=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide (CAS 488094-52-6), with molecular formula C25H21ClN4OS and molecular weight 460.11 g/mol. IUPAC: (E)-N-[3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
Property Insights of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
The XLogP value of 6.0797 indicates that N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide 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 N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The CAS number of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is 488094-52-6.
What is the molecular formula of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The molecular formula of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is C25H21ClN4OS.
What is the molecular weight of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The molecular weight of N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is 460.11 g/mol.
Where can I buy N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
You can request a quote for N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.