ChemDiv3_010586
TL;DR: ChemDiv3_010586 (CAS 852374-93-7) is a chemical compound with molecular formula C20H16FN5OS and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_010586, IDI1_028144, AB00672010-01, F0676-0419, N-benzyl-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
| Molecular Formula | C20H16FN5OS |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.3389 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.10596 |
| Heavy Atoms | 28 |
| Complexity | 1116.0021 |
Chemical Identifiers
| CAS Number | 852374-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC(=CC=C4)F)C=C2 |
Product Overview
ChemDiv3_010586 (CAS 852374-93-7), with molecular formula C20H16FN5OS and molecular weight 393.11 g/mol. IUPAC: N-benzyl-2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_010586
Property Insights of ChemDiv3_010586
The XLogP value of 3.3389 indicates that ChemDiv3_010586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010586. Following Lipinski's Rule of Five, ChemDiv3_010586 has 1 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_010586?
The CAS number of ChemDiv3_010586 is 852374-93-7.
What is the molecular formula of ChemDiv3_010586?
The molecular formula of ChemDiv3_010586 is C20H16FN5OS.
What is the molecular weight of ChemDiv3_010586?
The molecular weight of ChemDiv3_010586 is 393.11 g/mol.
Where can I buy ChemDiv3_010586?
You can request a quote for ChemDiv3_010586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010586?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.