F0682-0891
TL;DR: F0682-0891 (CAS 863460-62-2) is a chemical compound with molecular formula C18H11ClFN5OS and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: F0682-0891, 1-(4-chlorophenyl)-2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one, 1-(4-chlorophenyl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone, 1-(4-chlorophenyl)-2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
| Molecular Formula | C18H11ClFN5OS |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 3.978 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.03568 |
| Heavy Atoms | 27 |
| Complexity | 1115.0222 |
Chemical Identifiers
| CAS Number | 863460-62-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F)Cl |
Product Overview
F0682-0891 (CAS 863460-62-2), with molecular formula C18H11ClFN5OS and molecular weight 399.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of F0682-0891
Property Insights of F0682-0891
The XLogP value of 3.978 indicates that F0682-0891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0891. Following Lipinski's Rule of Five, F0682-0891 has 0 hydrogen bond donor(s) and 6 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 F0682-0891?
The CAS number of F0682-0891 is 863460-62-2.
What is the molecular formula of F0682-0891?
The molecular formula of F0682-0891 is C18H11ClFN5OS.
What is the molecular weight of F0682-0891?
The molecular weight of F0682-0891 is 399.04 g/mol.
Where can I buy F0682-0891?
You can request a quote for F0682-0891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0891?
Yes, KEHONG BIO provides custom synthesis services for F0682-0891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.