![4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide structure](/static/products/6944/694484-63-4.webp)
4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
TL;DR: 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694484-63-4) is a chemical compound with molecular formula C23H26ClN5O2S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide, 4-chloro-N-[1-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C23H26ClN5O2S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 4.79004 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.14957 |
| Heavy Atoms | 32 |
| Complexity | 1093.8246 |
Chemical Identifiers
| CAS Number | 694484-63-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)C(C)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694484-63-4), with molecular formula C23H26ClN5O2S and molecular weight 471.15 g/mol. IUPAC: 4-chloro-N-[1-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Property Insights of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
The XLogP value of 4.79004 indicates that 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)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 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide. Following Lipinski's Rule of Five, 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The CAS number of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 694484-63-4.
What is the molecular formula of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular formula of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is C23H26ClN5O2S.
What is the molecular weight of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular weight of 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 471.15 g/mol.
Where can I buy 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
You can request a quote for 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)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 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{1-[5-({2-[(3,5-dimethylphenyl)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.