![N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide structure](/static/products/7012/701275-65-2.webp)
N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
TL;DR: N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide (CAS 701275-65-2) is a chemical compound with molecular formula C26H24BrN5O3S and molecular weight 565.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide, N-{[5-({2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
| Molecular Formula | C26H24BrN5O3S |
|---|---|
| Molecular Weight | 565.08 g/mol |
| LogP | 5.00762 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 565.0783 |
| Heavy Atoms | 36 |
| Complexity | 1360.0197 |
Chemical Identifiers
| CAS Number | 701275-65-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide (CAS 701275-65-2), with molecular formula C26H24BrN5O3S and molecular weight 565.08 g/mol. IUPAC: N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Property Insights of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
The XLogP value of 5.00762 indicates that N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-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 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide has 2 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-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide?
The CAS number of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide is 701275-65-2.
What is the molecular formula of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide?
The molecular formula of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide is C26H24BrN5O3S.
What is the molecular weight of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide?
The molecular weight of N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide is 565.08 g/mol.
Where can I buy N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide?
You can request a quote for N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-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-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.