ChemDiv3_011284
TL;DR: ChemDiv3_011284 (CAS 863458-08-6) is a chemical compound with molecular formula C17H19FN6OS and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: ChemDiv3_011284, IDI1_028842, BRD-K80560243-001-01-6, F0682-0293, N,N-diethyl-2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide
| Molecular Formula | C17H19FN6OS |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 2.3692 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1325 |
| Heavy Atoms | 26 |
| Complexity | 893.9094 |
Chemical Identifiers
| CAS Number | 863458-08-6 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC=NC2=C1N=NN2CC3=CC=C(C=C3)F |
Product Overview
ChemDiv3_011284 (CAS 863458-08-6), with molecular formula C17H19FN6OS and molecular weight 374.13 g/mol. IUPAC: N,N-diethyl-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv3_011284
Property Insights of ChemDiv3_011284
The XLogP value of 2.3692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_011284. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011284. Following Lipinski's Rule of Five, ChemDiv3_011284 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_011284?
The CAS number of ChemDiv3_011284 is 863458-08-6.
What is the molecular formula of ChemDiv3_011284?
The molecular formula of ChemDiv3_011284 is C17H19FN6OS.
What is the molecular weight of ChemDiv3_011284?
The molecular weight of ChemDiv3_011284 is 374.13 g/mol.
Where can I buy ChemDiv3_011284?
You can request a quote for ChemDiv3_011284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011284?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.