F1494-0050
TL;DR: F1494-0050 (CAS 637320-97-9) is a chemical compound with molecular formula C21H22FN3O4S and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: F1494-0050, 2-((4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[[4-ethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2-{[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one, 2-[4-ethyl-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-1-(4-fluorophen yl)ethan-1-one
| Molecular Formula | C21H22FN3O4S |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.1049 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.1315 |
| Heavy Atoms | 30 |
| Complexity | 1012.2259 |
Chemical Identifiers
| CAS Number | 637320-97-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
F1494-0050 (CAS 637320-97-9), with molecular formula C21H22FN3O4S and molecular weight 431.13 g/mol. IUPAC: 2-[[4-ethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of F1494-0050
Property Insights of F1494-0050
The XLogP value of 4.1049 indicates that F1494-0050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for F1494-0050. Following Lipinski's Rule of Five, F1494-0050 has 0 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 F1494-0050?
The CAS number of F1494-0050 is 637320-97-9.
What is the molecular formula of F1494-0050?
The molecular formula of F1494-0050 is C21H22FN3O4S.
What is the molecular weight of F1494-0050?
The molecular weight of F1494-0050 is 431.13 g/mol.
Where can I buy F1494-0050?
You can request a quote for F1494-0050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1494-0050?
Yes, KEHONG BIO provides custom synthesis services for F1494-0050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.