![2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide structure](/static/products/303/303102-59-2.png)
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide
TL;DR: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide (CAS 303102-59-2) is a chemical compound with molecular formula C20H20FN5O2S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
Also Known As: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide, (E)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-fluorobenzylidene)acetohydrazide, 2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(3-FLUOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide
| Molecular Formula | C20H20FN5O2S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 3.3551 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.13217 |
| Heavy Atoms | 29 |
| Complexity | 1004.3611 |
Chemical Identifiers
| CAS Number | 303102-59-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC |
Product Overview
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide (CAS 303102-59-2), with molecular formula C20H20FN5O2S and molecular weight 413.13 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide
Property Insights of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide
The XLogP value of 3.3551 indicates that 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 6 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-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide?
The CAS number of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide is 303102-59-2.
What is the molecular formula of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide?
The molecular formula of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide is C20H20FN5O2S.
What is the molecular weight of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide?
The molecular weight of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide is 413.13 g/mol.
Where can I buy 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide?
You can request a quote for 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-fluorophenyl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.