F2696-0446
TL;DR: F2696-0446 (CAS 899758-57-7) is a chemical compound with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
Also Known As: F2696-0446, 2-((4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-isopentylacetamide, 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide, 2-{[4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(3-methylbutyl)acetamide, N-isopentyl[4-(3-chloro-4-methoxyphenyl)-3-oxo-3,4-dihydro-2-pyrazinylthio]acetamide
| Molecular Formula | C18H22ClN3O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.1489 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.10703 |
| Heavy Atoms | 26 |
| Complexity | 823.5689 |
Chemical Identifiers
| CAS Number | 899758-57-7 |
|---|---|
| SMILES | CC(C)CCNC(=O)CSC1=NC=CN(C1=O)C2=CC(=C(C=C2)OC)Cl |
Product Overview
F2696-0446 (CAS 899758-57-7), with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol. IUPAC: 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide.
Chemical Property Profile of F2696-0446
Property Insights of F2696-0446
The XLogP value of 3.1489 indicates that F2696-0446 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 F2696-0446. Following Lipinski's Rule of Five, F2696-0446 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 F2696-0446?
The CAS number of F2696-0446 is 899758-57-7.
What is the molecular formula of F2696-0446?
The molecular formula of F2696-0446 is C18H22ClN3O3S.
What is the molecular weight of F2696-0446?
The molecular weight of F2696-0446 is 395.11 g/mol.
Where can I buy F2696-0446?
You can request a quote for F2696-0446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2696-0446?
Yes, KEHONG BIO provides custom synthesis services for F2696-0446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.