RefChem:449189
TL;DR: RefChem:449189 (CAS 303092-82-2) is a chemical compound with molecular formula C21H22FN5O2S and molecular weight 427.15 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)-1-(4-fluorophenyl)ethylideneamino]acetamide
Also Known As: 2-{[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-1-(4-FLUOROPHENYL)ETHYLIDENE]ACETOHYDRAZIDE, (E)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(4-fluorophenyl)ethylidene)acetohydrazide, 2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-1-(4-FLUOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide
| Molecular Formula | C21H22FN5O2S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.7452 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.14783 |
| Heavy Atoms | 30 |
| Complexity | 1032.5552 |
Chemical Identifiers
| CAS Number | 303092-82-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC |
Product Overview
RefChem:449189 (CAS 303092-82-2), with molecular formula C21H22FN5O2S and molecular weight 427.15 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide.
Chemical Property Profile of RefChem:449189
Property Insights of RefChem:449189
The XLogP value of 3.7452 indicates that RefChem:449189 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 RefChem:449189. Following Lipinski's Rule of Five, RefChem:449189 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 RefChem:449189?
The CAS number of RefChem:449189 is 303092-82-2.
What is the molecular formula of RefChem:449189?
The molecular formula of RefChem:449189 is C21H22FN5O2S.
What is the molecular weight of RefChem:449189?
The molecular weight of RefChem:449189 is 427.15 g/mol.
Where can I buy RefChem:449189?
You can request a quote for RefChem:449189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.