2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone
TL;DR: 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone (CAS 848923-82-0) is a chemical compound with molecular formula C29H21ClN4OS2 and molecular weight 540.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone, 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone, 2-[4-(4-chlorophenyl)-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-1-phenothiaz in-10-ylethan-1-one, 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
| Molecular Formula | C29H21ClN4OS2 |
|---|---|
| Molecular Weight | 540.08 g/mol |
| LogP | 7.81772 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.08453 |
| Heavy Atoms | 37 |
| Complexity | 1554.0709 |
Chemical Identifiers
| CAS Number | 848923-82-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 |
Product Overview
2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone (CAS 848923-82-0), with molecular formula C29H21ClN4OS2 and molecular weight 540.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone
Property Insights of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone
The XLogP value of 7.81772 indicates that 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone has 0 hydrogen bond donor(s) and 5 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-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone?
The CAS number of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone is 848923-82-0.
What is the molecular formula of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone?
The molecular formula of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone is C29H21ClN4OS2.
What is the molecular weight of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone?
The molecular weight of 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone is 540.08 g/mol.
Where can I buy 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone?
You can request a quote for 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.