ChemDiv3_011504
TL;DR: ChemDiv3_011504 (CAS 863459-82-9) is a chemical compound with molecular formula C21H17FN6OS and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: ChemDiv3_011504, IDI1_029062, BRD-K63266866-001-01-7, F0682-0793, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
| Molecular Formula | C21H17FN6OS |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.4211 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11685 |
| Heavy Atoms | 30 |
| Complexity | 1225.8889 |
Chemical Identifiers
| CAS Number | 863459-82-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC4=C3N=NN4C5=CC=C(C=C5)F |
Product Overview
ChemDiv3_011504 (CAS 863459-82-9), with molecular formula C21H17FN6OS and molecular weight 420.12 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of ChemDiv3_011504
Property Insights of ChemDiv3_011504
The XLogP value of 3.4211 indicates that ChemDiv3_011504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011504. Following Lipinski's Rule of Five, ChemDiv3_011504 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 ChemDiv3_011504?
The CAS number of ChemDiv3_011504 is 863459-82-9.
What is the molecular formula of ChemDiv3_011504?
The molecular formula of ChemDiv3_011504 is C21H17FN6OS.
What is the molecular weight of ChemDiv3_011504?
The molecular weight of ChemDiv3_011504 is 420.12 g/mol.
Where can I buy ChemDiv3_011504?
You can request a quote for ChemDiv3_011504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011504?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.