![3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide structure](/static/products/6944/694462-05-0.webp)
3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
TL;DR: 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide (CAS 694462-05-0) is a chemical compound with molecular formula C23H24Cl3N5O2S and molecular weight 539.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
Also Known As: 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide, 3-methyl-N-{2-methyl-1-[4-methyl-5-({2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propyl}benzamide
| Molecular Formula | C23H24Cl3N5O2S |
|---|---|
| Molecular Weight | 539.07 g/mol |
| LogP | 5.94162 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.07166 |
| Heavy Atoms | 34 |
| Complexity | 1215.3114 |
Chemical Identifiers
| CAS Number | 694462-05-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl)C(C)C |
Product Overview
3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide (CAS 694462-05-0), with molecular formula C23H24Cl3N5O2S and molecular weight 539.07 g/mol. IUPAC: 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide.
Chemical Property Profile of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
Property Insights of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
The XLogP value of 5.94162 indicates that 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide 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 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide. Following Lipinski's Rule of Five, 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide 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 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide?
The CAS number of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide is 694462-05-0.
What is the molecular formula of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide?
The molecular formula of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide is C23H24Cl3N5O2S.
What is the molecular weight of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide?
The molecular weight of 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide is 539.07 g/mol.
Where can I buy 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide?
You can request a quote for 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[2-methyl-1-[4-methyl-5-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.