IFLab1_003393
TL;DR: IFLab1_003393 (CAS 852437-92-4) is a chemical compound with molecular formula C20H17FN4O2S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: IFLab1_003393, AB00672120-01, F0676-0928, 3-(3,4-dimethoxyphenyl)-6-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazine, 3-(3,4-dimethoxyphenyl)-6-((2-fluorobenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C20H17FN4O2S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.2399 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.10562 |
| Heavy Atoms | 28 |
| Complexity | 1132.3519 |
Chemical Identifiers
| CAS Number | 852437-92-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=CC=C4F)OC |
Product Overview
IFLab1_003393 (CAS 852437-92-4), with molecular formula C20H17FN4O2S and molecular weight 396.11 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of IFLab1_003393
Property Insights of IFLab1_003393
The XLogP value of 4.2399 indicates that IFLab1_003393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003393. Following Lipinski's Rule of Five, IFLab1_003393 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 IFLab1_003393?
The CAS number of IFLab1_003393 is 852437-92-4.
What is the molecular formula of IFLab1_003393?
The molecular formula of IFLab1_003393 is C20H17FN4O2S.
What is the molecular weight of IFLab1_003393?
The molecular weight of IFLab1_003393 is 396.11 g/mol.
Where can I buy IFLab1_003393?
You can request a quote for IFLab1_003393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003393?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.