C26H21FN4OS
TL;DR: C26H21FN4OS (CAS 850228-79-4) is a chemical compound with molecular formula C26H21FN4OS and molecular weight 456.142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-fluorophenyl)-4-methyl-9-(4-methylsulfanylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 7-(4-fluorophenyl)-2-methyl-6-(4-(methylthio)phenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-fluorophenyl)-2-methyl-6-[4-(methylsulfanyl)phenyl]-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Technical Specifications
| Molecular Formula | C26H21FN4OS |
| Molecular Weight | 456.142 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.142 Da |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
| SMILES | CC1=CC2=C(C=C1)OC(C3=C2NC4=NC=NN4C3C5=CC=C(C=C5)F)C6=CC=C(C=C6)SC |
| InChIKey | WHGXRCHZSISXMN-UHFFFAOYSA-N |
Chemical Property Profile of C26H21FN4OS
Property Insights of C26H21FN4OS
The XLogP value of 5.5 indicates that C26H21FN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H21FN4OS. Following Lipinski's Rule of Five, C26H21FN4OS has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C26H21FN4OS?
The CAS number of C26H21FN4OS is 850228-79-4.
What is the molecular formula of C26H21FN4OS?
The molecular formula of C26H21FN4OS is C26H21FN4OS.
What is the molecular weight of C26H21FN4OS?
The molecular weight of C26H21FN4OS is 456.142 g/mol.
Where can I buy C26H21FN4OS?
You can request a quote for C26H21FN4OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C26H21FN4OS?
Yes, CoreyChem provides custom synthesis services for C26H21FN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.