![N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide structure](/static/products/7012/701279-94-9.webp)
N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
TL;DR: N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide (CAS 701279-94-9) is a chemical compound with molecular formula C25H21BrN4O3S and molecular weight 536.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C25H21BrN4O3S |
|---|---|
| Molecular Weight | 536.05 g/mol |
| LogP | 4.9434 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.05176 |
| Heavy Atoms | 34 |
| Complexity | 1276.0309 |
Chemical Identifiers
| CAS Number | 701279-94-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide (CAS 701279-94-9), with molecular formula C25H21BrN4O3S and molecular weight 536.05 g/mol. IUPAC: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Property Insights of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
The XLogP value of 4.9434 indicates that N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide 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 N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide?
The CAS number of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide is 701279-94-9.
What is the molecular formula of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide?
The molecular formula of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide is C25H21BrN4O3S.
What is the molecular weight of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide?
The molecular weight of N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide is 536.05 g/mol.
Where can I buy N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide?
You can request a quote for N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.