C26H20ClFN4OS
TL;DR: C26H20ClFN4OS (CAS 836639-58-8) is a chemical compound with molecular formula C26H20ClFN4OS and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-9-(2-fluorophenyl)-11-(4-methylphenyl)-14-methylsulfanyl-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: 2-chloro-6-(2-fluorophenyl)-10-(methylthio)-7-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-6-(2-fluorophenyl)-7-(4-methylphenyl)-10-(methylsulfanyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C26H20ClFN4OS |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 6.66082 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.10303 |
| Heavy Atoms | 34 |
| Complexity | 1449.6935 |
Chemical Identifiers
| CAS Number | 836639-58-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=CC=C5F)NC6=NC(=NN26)SC |
Product Overview
C26H20ClFN4OS (CAS 836639-58-8), with molecular formula C26H20ClFN4OS and molecular weight 490.10 g/mol. IUPAC: 4-chloro-9-(2-fluorophenyl)-11-(4-methylphenyl)-14-methylsulfanyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C26H20ClFN4OS
Property Insights of C26H20ClFN4OS
The XLogP value of 6.66082 indicates that C26H20ClFN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C26H20ClFN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C26H20ClFN4OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H20ClFN4OS?
The CAS number of C26H20ClFN4OS is 836639-58-8.
What is the molecular formula of C26H20ClFN4OS?
The molecular formula of C26H20ClFN4OS is C26H20ClFN4OS.
What is the molecular weight of C26H20ClFN4OS?
The molecular weight of C26H20ClFN4OS is 490.10 g/mol.
Where can I buy C26H20ClFN4OS?
You can request a quote for C26H20ClFN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H20ClFN4OS?
Yes, KEHONG BIO provides custom synthesis services for C26H20ClFN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.