F2696-0778
TL;DR: F2696-0778 (CAS 899759-56-9) is a chemical compound with molecular formula C21H20FN3O3S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F2696-0778, 2-{[4-(4-ethoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide, 2-((4-(4-ethoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C21H20FN3O3S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.1788 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.12094 |
| Heavy Atoms | 29 |
| Complexity | 1020.5914 |
Chemical Identifiers
| CAS Number | 899759-56-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NCC3=CC=C(C=C3)F |
Product Overview
F2696-0778 (CAS 899759-56-9), with molecular formula C21H20FN3O3S and molecular weight 413.12 g/mol. IUPAC: 2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of F2696-0778
Property Insights of F2696-0778
The XLogP value of 3.1788 indicates that F2696-0778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F2696-0778. Following Lipinski's Rule of Five, F2696-0778 has 1 hydrogen bond donor(s) and 5 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 F2696-0778?
The CAS number of F2696-0778 is 899759-56-9.
What is the molecular formula of F2696-0778?
The molecular formula of F2696-0778 is C21H20FN3O3S.
What is the molecular weight of F2696-0778?
The molecular weight of F2696-0778 is 413.12 g/mol.
Where can I buy F2696-0778?
You can request a quote for F2696-0778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2696-0778?
Yes, KEHONG BIO provides custom synthesis services for F2696-0778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.