![3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide structure](/static/products/6945/694505-99-2.webp)
3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
TL;DR: 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694505-99-2) is a chemical compound with molecular formula C21H19Cl4N5O2S and molecular weight 545.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[1-[5-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide, 3,4-dichloro-N-[1-[5-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C21H19Cl4N5O2S |
|---|---|
| Molecular Weight | 545.00 g/mol |
| LogP | 6.1334 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.00134 |
| Heavy Atoms | 33 |
| Complexity | 1187.4569 |
Chemical Identifiers
| CAS Number | 694505-99-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(C)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694505-99-2), with molecular formula C21H19Cl4N5O2S and molecular weight 545.00 g/mol. IUPAC: 3,4-dichloro-N-[1-[5-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Property Insights of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
The XLogP value of 6.1334 indicates that 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}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 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}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 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The CAS number of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 694505-99-2.
What is the molecular formula of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular formula of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is C21H19Cl4N5O2S.
What is the molecular weight of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular weight of 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 545.00 g/mol.
Where can I buy 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
You can request a quote for 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-{1-[5-({2-[(2,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.