F3394-1158
TL;DR: F3394-1158 (CAS 690646-48-1) is a chemical compound with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenoxyphenyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)ethanone
Also Known As: F3394-1158, 1-(4-phenoxyphenyl)-2-{8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one, 1-(4-phenoxyphenyl)-2-((6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(4-phenoxyphenyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)ethanone, 1-(4-phenoxyphenyl)-2-{8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraen-3-ylsulfanyl}ethan-1-one
| Molecular Formula | C25H22N2O2S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 6.7275 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.11227 |
| Heavy Atoms | 31 |
| Complexity | 1203.6643 |
Chemical Identifiers
| CAS Number | 690646-48-1 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
F3394-1158 (CAS 690646-48-1), with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol. IUPAC: 1-(4-phenoxyphenyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)ethanone.
Chemical Property Profile of F3394-1158
Property Insights of F3394-1158
The XLogP value of 6.7275 indicates that F3394-1158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, F3394-1158 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-1158 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-1158?
The CAS number of F3394-1158 is 690646-48-1.
What is the molecular formula of F3394-1158?
The molecular formula of F3394-1158 is C25H22N2O2S2.
What is the molecular weight of F3394-1158?
The molecular weight of F3394-1158 is 446.11 g/mol.
Where can I buy F3394-1158?
You can request a quote for F3394-1158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1158?
Yes, KEHONG BIO provides custom synthesis services for F3394-1158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.