C25H18ClFN4OS
TL;DR: C25H18ClFN4OS (CAS 849918-87-2) is a chemical compound with molecular formula C25H18ClFN4OS and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-11-(2-fluorophenyl)-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: 2-chloro-7-(2-fluorophenyl)-6-(4-(methylthio)phenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 2-chloro-7-(2-fluorophenyl)-6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H18ClFN4OS |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 6.3524 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.0874 |
| Heavy Atoms | 33 |
| Complexity | 1401.7997 |
Chemical Identifiers
| CAS Number | 849918-87-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C3=C(C4=C(O2)C=CC(=C4)Cl)NC5=NC=NN5C3C6=CC=CC=C6F |
Product Overview
C25H18ClFN4OS (CAS 849918-87-2), with molecular formula C25H18ClFN4OS and molecular weight 476.09 g/mol. IUPAC: 4-chloro-11-(2-fluorophenyl)-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.
Chemical Property Profile of C25H18ClFN4OS
Property Insights of C25H18ClFN4OS
The XLogP value of 6.3524 indicates that C25H18ClFN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C25H18ClFN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H18ClFN4OS 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 C25H18ClFN4OS?
The CAS number of C25H18ClFN4OS is 849918-87-2.
What is the molecular formula of C25H18ClFN4OS?
The molecular formula of C25H18ClFN4OS is C25H18ClFN4OS.
What is the molecular weight of C25H18ClFN4OS?
The molecular weight of C25H18ClFN4OS is 476.09 g/mol.
Where can I buy C25H18ClFN4OS?
You can request a quote for C25H18ClFN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H18ClFN4OS?
Yes, KEHONG BIO provides custom synthesis services for C25H18ClFN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.