![2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide structure](/static/products/4881/488122-77-6.webp)
2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide
TL;DR: 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide (CAS 488122-77-6) is a chemical compound with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
Also Known As: 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
| Molecular Formula | C21H22ClN5O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.878 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1132 |
| Heavy Atoms | 31 |
| Complexity | 1069.3772 |
Chemical Identifiers
| CAS Number | 488122-77-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)Cl |
Product Overview
2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide (CAS 488122-77-6), with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide
Property Insights of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide
The XLogP value of 3.878 indicates that 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide. Following Lipinski's Rule of Five, 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide has 1 hydrogen bond donor(s) and 7 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 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide?
The CAS number of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide is 488122-77-6.
What is the molecular formula of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide?
The molecular formula of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide is C21H22ClN5O3S.
What is the molecular weight of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide?
The molecular weight of 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide is 459.11 g/mol.
Where can I buy 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide?
You can request a quote for 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2,5-dimethoxyphenyl)methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.