ChemDiv3_011548
TL;DR: ChemDiv3_011548 (CAS 863460-50-8) is a chemical compound with molecular formula C18H11F4N5S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-7-[[4-(trifluoromethyl)phenyl]methylsulfanyl]triazolo[4,5-d]pyrimidine
Also Known As: ChemDiv3_011548, IDI1_029106, BRD-K30565004-001-01-5, F0682-0868, 3-(4-fluorophenyl)-7-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H11F4N5S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 4.6607 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06714 |
| Heavy Atoms | 28 |
| Complexity | 1107.7365 |
Chemical Identifiers
| CAS Number | 863460-50-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
ChemDiv3_011548 (CAS 863460-50-8), with molecular formula C18H11F4N5S and molecular weight 405.07 g/mol. IUPAC: 3-(4-fluorophenyl)-7-[[4-(trifluoromethyl)phenyl]methylsulfanyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of ChemDiv3_011548
Property Insights of ChemDiv3_011548
The XLogP value of 4.6607 indicates that ChemDiv3_011548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, ChemDiv3_011548 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_011548 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_011548?
The CAS number of ChemDiv3_011548 is 863460-50-8.
What is the molecular formula of ChemDiv3_011548?
The molecular formula of ChemDiv3_011548 is C18H11F4N5S.
What is the molecular weight of ChemDiv3_011548?
The molecular weight of ChemDiv3_011548 is 405.07 g/mol.
Where can I buy ChemDiv3_011548?
You can request a quote for ChemDiv3_011548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011548?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.