C25H17ClF2N4OS
TL;DR: C25H17ClF2N4OS (CAS 877621-72-2) is a chemical compound with molecular formula C25H17ClF2N4OS and molecular weight 494.08 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-fluorophenyl)-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)-7-(4-fluorophenyl)-10-(methylsulfanyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-6-(2-fluorophenyl)-7-(4-fluorophenyl)-10-(methylthio)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H17ClF2N4OS |
|---|---|
| Molecular Weight | 494.08 g/mol |
| LogP | 6.4915 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.07797 |
| Heavy Atoms | 34 |
| Complexity | 1453.8086 |
Chemical Identifiers
| CAS Number | 877621-72-2 |
|---|---|
| SMILES | CSC1=NN2C(C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=CC=C5F)NC2=N1)C6=CC=C(C=C6)F |
Product Overview
C25H17ClF2N4OS (CAS 877621-72-2), with molecular formula C25H17ClF2N4OS and molecular weight 494.08 g/mol. IUPAC: 4-chloro-9-(2-fluorophenyl)-11-(4-fluorophenyl)-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 C25H17ClF2N4OS
Property Insights of C25H17ClF2N4OS
The XLogP value of 6.4915 indicates that C25H17ClF2N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C25H17ClF2N4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H17ClF2N4OS 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 C25H17ClF2N4OS?
The CAS number of C25H17ClF2N4OS is 877621-72-2.
What is the molecular formula of C25H17ClF2N4OS?
The molecular formula of C25H17ClF2N4OS is C25H17ClF2N4OS.
What is the molecular weight of C25H17ClF2N4OS?
The molecular weight of C25H17ClF2N4OS is 494.08 g/mol.
Where can I buy C25H17ClF2N4OS?
You can request a quote for C25H17ClF2N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H17ClF2N4OS?
Yes, KEHONG BIO provides custom synthesis services for C25H17ClF2N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.