F3394-1053
TL;DR: F3394-1053 (CAS 727689-33-0) is a chemical compound with molecular formula C22H16N2O3S2 and molecular weight 420.06 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-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanone
Also Known As: F3394-1053, 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one, 1-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanone, 1-(benzo[d][1,3]dioxol-5-yl)-2-((5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-[3-(p-tolyl)-1-thia-5,7-diaza-4-indenylthio]-1-ethanone
| Molecular Formula | C22H16N2O3S2 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 5.37042 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.06024 |
| Heavy Atoms | 29 |
| Complexity | 1218.6948 |
Chemical Identifiers
| CAS Number | 727689-33-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
F3394-1053 (CAS 727689-33-0), with molecular formula C22H16N2O3S2 and molecular weight 420.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanone.
Chemical Property Profile of F3394-1053
Property Insights of F3394-1053
The XLogP value of 5.37042 indicates that F3394-1053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-1053. Following Lipinski's Rule of Five, F3394-1053 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 F3394-1053?
The CAS number of F3394-1053 is 727689-33-0.
What is the molecular formula of F3394-1053?
The molecular formula of F3394-1053 is C22H16N2O3S2.
What is the molecular weight of F3394-1053?
The molecular weight of F3394-1053 is 420.06 g/mol.
Where can I buy F3394-1053?
You can request a quote for F3394-1053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1053?
Yes, KEHONG BIO provides custom synthesis services for F3394-1053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.