N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
TL;DR: N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide (CAS 489443-38-1) is a chemical compound with molecular formula C26H24N4OS and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Also Known As: N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide, (2E)-N-(3-{4-methyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-3-phenylprop-2-enamide, (E)-N-[3-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
| Molecular Formula | C26H24N4OS |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.73472 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.16708 |
| Heavy Atoms | 32 |
| Complexity | 1230.4388 |
Chemical Identifiers
| CAS Number | 489443-38-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide (CAS 489443-38-1), with molecular formula C26H24N4OS and molecular weight 440.17 g/mol. IUPAC: (E)-N-[3-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
Property Insights of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
The XLogP value of 5.73472 indicates that N-(3-(4-methyl-5-((4-methylbenzyl)thio)-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-(4-methyl-5-((4-methylbenzyl)thio)-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-(4-methyl-5-((4-methylbenzyl)thio)-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-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The CAS number of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is 489443-38-1.
What is the molecular formula of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The molecular formula of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is C26H24N4OS.
What is the molecular weight of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
The molecular weight of N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide is 440.17 g/mol.
Where can I buy N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
You can request a quote for N-(3-(4-methyl-5-((4-methylbenzyl)thio)-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-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(4-methyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.