Bionet1_004058
TL;DR: Bionet1_004058 (CAS 477871-64-0) is a chemical compound with molecular formula C13H6ClF2N5S2 and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3-benzothiazole
Also Known As: Bionet1_004058, DivK1c_002554, CDS1_001514, 6-(1,3-benzothiazol-2-ylsulfanyl)-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine, 1R-0691
| Molecular Formula | C13H6ClF2N5S2 |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 4.1733 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.9721 |
| Heavy Atoms | 23 |
| Complexity | 977.36285 |
Chemical Identifiers
| CAS Number | 477871-64-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=NN4C(=NN=C4C(F)(F)Cl)C=C3 |
Product Overview
Bionet1_004058 (CAS 477871-64-0), with molecular formula C13H6ClF2N5S2 and molecular weight 368.97 g/mol. IUPAC: 2-[[3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Bionet1_004058
Property Insights of Bionet1_004058
The XLogP value of 4.1733 indicates that Bionet1_004058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, Bionet1_004058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004058 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 Bionet1_004058?
The CAS number of Bionet1_004058 is 477871-64-0.
What is the molecular formula of Bionet1_004058?
The molecular formula of Bionet1_004058 is C13H6ClF2N5S2.
What is the molecular weight of Bionet1_004058?
The molecular weight of Bionet1_004058 is 368.97 g/mol.
Where can I buy Bionet1_004058?
You can request a quote for Bionet1_004058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004058?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.