![N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide structure](/static/products/6944/694486-28-7.webp)
N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide
TL;DR: N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide (CAS 694486-28-7) is a chemical compound with molecular formula C23H24BrCl2N5O2S and molecular weight 583.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(4-bromo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2,4-dichlorobenzamide
Also Known As: N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide, N-[1-[5-[2-(4-bromo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2,4-dichlorobenzamide
| Molecular Formula | C23H24BrCl2N5O2S |
|---|---|
| Molecular Weight | 583.02 g/mol |
| LogP | 6.2296 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 583.0211 |
| Heavy Atoms | 34 |
| Complexity | 1218.0663 |
Chemical Identifiers
| CAS Number | 694486-28-7 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide (CAS 694486-28-7), with molecular formula C23H24BrCl2N5O2S and molecular weight 583.02 g/mol. IUPAC: N-[1-[5-[2-(4-bromo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2,4-dichlorobenzamide.
Chemical Property Profile of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide
Property Insights of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide
The XLogP value of 6.2296 indicates that N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-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-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide. Following Lipinski's Rule of Five, N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-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-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide?
The CAS number of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide is 694486-28-7.
What is the molecular formula of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide?
The molecular formula of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide is C23H24BrCl2N5O2S.
What is the molecular weight of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide?
The molecular weight of N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide is 583.02 g/mol.
Where can I buy N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide?
You can request a quote for N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-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-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{5-[(2-{[4-bromo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2,4-dichlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.