F3394-0685
TL;DR: F3394-0685 (CAS 690642-75-2) is a chemical compound with molecular formula C26H22N2O4S2 and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: F3394-0685, 5-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-3-one, 2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-phenyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethylthio]-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0(2),]tetradeca-1(9),2(7),5-trien-3-one
| Molecular Formula | C26H22N2O4S2 |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 5.4198 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.1021 |
| Heavy Atoms | 34 |
| Complexity | 1459.4299 |
Chemical Identifiers
| CAS Number | 690642-75-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
F3394-0685 (CAS 690642-75-2), with molecular formula C26H22N2O4S2 and molecular weight 490.10 g/mol. IUPAC: 5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of F3394-0685
Property Insights of F3394-0685
The XLogP value of 5.4198 indicates that F3394-0685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0685. Following Lipinski's Rule of Five, F3394-0685 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0685?
The CAS number of F3394-0685 is 690642-75-2.
What is the molecular formula of F3394-0685?
The molecular formula of F3394-0685 is C26H22N2O4S2.
What is the molecular weight of F3394-0685?
The molecular weight of F3394-0685 is 490.10 g/mol.
Where can I buy F3394-0685?
You can request a quote for F3394-0685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0685?
Yes, KEHONG BIO provides custom synthesis services for F3394-0685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.