F2696-0591
TL;DR: F2696-0591 (CAS 899759-05-8) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
Also Known As: F2696-0591, 2-{[4-(3-chloro-4-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide, 2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide, 2-((4-(3-chloro-4-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.54196 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 1074.999 |
Chemical Identifiers
| CAS Number | 899759-05-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NC3=CC(=CC(=C3)C)C)Cl |
Product Overview
F2696-0591 (CAS 899759-05-8), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of F2696-0591
Property Insights of F2696-0591
The XLogP value of 4.54196 indicates that F2696-0591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F2696-0591. Following Lipinski's Rule of Five, F2696-0591 has 1 hydrogen bond donor(s) and 4 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 F2696-0591?
The CAS number of F2696-0591 is 899759-05-8.
What is the molecular formula of F2696-0591?
The molecular formula of F2696-0591 is C21H20ClN3O2S.
What is the molecular weight of F2696-0591?
The molecular weight of F2696-0591 is 413.10 g/mol.
Where can I buy F2696-0591?
You can request a quote for F2696-0591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2696-0591?
Yes, KEHONG BIO provides custom synthesis services for F2696-0591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.