F3394-1072
TL;DR: F3394-1072 (CAS 690645-48-8) is a chemical compound with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
Also Known As: F3394-1072, 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}ethan-1-one, 1-(1,3-benzodioxol-5-yl)-2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone, 1-(benzo[d][1,3]dioxol-5-yl)-2-((5-(3,4-dimethylphenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-[8-(3,4-xylyl)-6-thia-1,3,4-triazabicyclo[3.3.0]octa-2,4,7-trien-2-ylthio]-1-ethanone
| Molecular Formula | C21H17N3O3S2 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 4.77834 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.07114 |
| Heavy Atoms | 29 |
| Complexity | 1245.4341 |
Chemical Identifiers
| CAS Number | 690645-48-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)C4=CC5=C(C=C4)OCO5)C |
Product Overview
F3394-1072 (CAS 690645-48-8), with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F3394-1072
Property Insights of F3394-1072
The XLogP value of 4.77834 indicates that F3394-1072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-1072. Following Lipinski's Rule of Five, F3394-1072 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 F3394-1072?
The CAS number of F3394-1072 is 690645-48-8.
What is the molecular formula of F3394-1072?
The molecular formula of F3394-1072 is C21H17N3O3S2.
What is the molecular weight of F3394-1072?
The molecular weight of F3394-1072 is 423.07 g/mol.
Where can I buy F3394-1072?
You can request a quote for F3394-1072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1072?
Yes, KEHONG BIO provides custom synthesis services for F3394-1072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.