![N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide structure](/static/products/7929/792943-51-2.webp)
N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide
TL;DR: N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide (CAS 792943-51-2) is a chemical compound with molecular formula C20H18BrCl2N5O2S and molecular weight 540.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
Also Known As: N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide, N-[1-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
| Molecular Formula | C20H18BrCl2N5O2S |
|---|---|
| Molecular Weight | 540.97 g/mol |
| LogP | 5.1062 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.9742 |
| Heavy Atoms | 31 |
| Complexity | 1124.6997 |
Chemical Identifiers
| CAS Number | 792943-51-2 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)Br)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide (CAS 792943-51-2), with molecular formula C20H18BrCl2N5O2S and molecular weight 540.97 g/mol. IUPAC: N-[1-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide.
Chemical Property Profile of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide
Property Insights of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide
The XLogP value of 5.1062 indicates that N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide. Following Lipinski's Rule of Five, N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide has 2 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 N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide?
The CAS number of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide is 792943-51-2.
What is the molecular formula of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide?
The molecular formula of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide is C20H18BrCl2N5O2S.
What is the molecular weight of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide?
The molecular weight of N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide is 540.97 g/mol.
Where can I buy N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide?
You can request a quote for N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[5-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3,4-dichlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.