2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone
TL;DR: 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone (CAS 618441-30-8) is a chemical compound with molecular formula C25H22BrN3O2S and molecular weight 507.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
Also Known As: 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone, 2-({4-(2-BROMOPHENYL)-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-1-(4-METHYLPHENYL)ETHANONE, 2-((4-(2-BROMOPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-METHYLPHENYL)ETHANONE, 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone, 644-344-5
| Molecular Formula | C25H22BrN3O2S |
|---|---|
| Molecular Weight | 507.06 g/mol |
| LogP | 6.20064 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.0616 |
| Heavy Atoms | 32 |
| Complexity | 1220.933 |
Chemical Identifiers
| CAS Number | 618441-30-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3Br)COC4=CC=C(C=C4)C |
Product Overview
2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone (CAS 618441-30-8), with molecular formula C25H22BrN3O2S and molecular weight 507.06 g/mol. IUPAC: 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone
Property Insights of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone
The XLogP value of 6.20064 indicates that 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)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-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone?
The CAS number of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone is 618441-30-8.
What is the molecular formula of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone?
The molecular formula of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone is C25H22BrN3O2S.
What is the molecular weight of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone?
The molecular weight of 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone is 507.06 g/mol.
Where can I buy 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone?
You can request a quote for 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)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-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.