F0594-0777
TL;DR: F0594-0777 (CAS 851130-06-8) is a chemical compound with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Also Known As: F0594-0777, 2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide, 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
| Molecular Formula | C21H16N4O4S2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.4364 |
| Topological Polar Surface Area | 99.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0613 |
| Heavy Atoms | 31 |
| Complexity | 1194.835 |
Chemical Identifiers
| CAS Number | 851130-06-8 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC(=O)NC4=NC(=CS4)C5=CC=CC=C5 |
Product Overview
F0594-0777 (CAS 851130-06-8), with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol. IUPAC: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F0594-0777
Property Insights of F0594-0777
The XLogP value of 4.4364 indicates that F0594-0777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.37 Ų falls within the moderate polarity range, balancing permeability and solubility for F0594-0777. Following Lipinski's Rule of Five, F0594-0777 has 1 hydrogen bond donor(s) and 9 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 F0594-0777?
The CAS number of F0594-0777 is 851130-06-8.
What is the molecular formula of F0594-0777?
The molecular formula of F0594-0777 is C21H16N4O4S2.
What is the molecular weight of F0594-0777?
The molecular weight of F0594-0777 is 452.06 g/mol.
Where can I buy F0594-0777?
You can request a quote for F0594-0777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0594-0777?
Yes, KEHONG BIO provides custom synthesis services for F0594-0777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.